 Entering Gaussian System, Link 0=g16
 Input=36a_RhEn3-lel3_STD_M11-augccpVDZr.in
 Output=36a_RhEn3-lel3_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/36a_RhEn3-lel3_STD/Gau-24918.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/36a_RhEn3-lel3_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     24920.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36a_RhEn3-lel3_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 21:36:47 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36a_RhEn3-lel3_STD_M11-augccpVDZr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.478199000000     -2.838320000000      0.749399000000
  C                                                -0.645629000000     -2.804461000000     -0.750307000000
  N                                                -1.078681000000     -1.418399000000     -1.150041000000
  Rh                                                0.000089000000      0.000061000000      0.000067000000
  N                                                 0.452614000000     -1.723960000000      1.149911000000
  N                                                 1.266579000000      1.253203000000      1.150361000000
  C                                                 2.697130000000      1.004980000000      0.749740000000
  C                                                 2.751749000000      0.843414000000     -0.749999000000
  N                                                 1.767955000000     -0.224596000000     -1.150132000000
  N                                                -0.689162000000      1.644142000000     -1.149359000000
  C                                                -2.106386000000      1.961118000000     -0.750083000000
  C                                                -2.219517000000      1.832701000000      0.749582000000
  N                                                -1.719027000000      0.469782000000      1.150195000000
  H                                                 3.756021000000      0.579430000000     -1.083089000000
  H                                                 2.470270000000      1.765046000000     -1.260306000000
  H                                                 3.333144000000      1.825874000000      1.082628000000
  H                                                 3.035123000000      0.102500000000      1.259954000000
  H                                                -2.380317000000      2.962746000000     -1.083117000000
  H                                                -2.763117000000      1.256285000000     -1.260915000000
  H                                                -3.248557000000      1.972847000000      1.082181000000
  H                                                -1.607166000000      2.576710000000      1.260000000000
  H                                                -1.376439000000     -3.542110000000     -1.083457000000
  H                                                 0.293217000000     -3.021476000000     -1.260748000000
  H                                                -0.085550000000     -3.799768000000      1.082032000000
  H                                                -1.428624000000     -2.679610000000      1.259901000000
  H                                                 1.413300000000     -2.037405000000      1.012360000000
  H                                                 0.376507000000     -1.580276000000      2.156655000000
  H                                                -2.086004000000     -1.339860000000     -1.011556000000
  H                                                -0.954028000000     -1.314487000000     -2.156803000000
  H                                                -2.470374000000     -0.206011000000      1.012941000000
  H                                                -1.556269000000      0.464260000000      2.156877000000
  H                                                -0.118063000000      2.477516000000     -1.010037000000
  H                                                -0.660849000000      1.484860000000     -2.156217000000
  H                                                 1.057396000000      2.241932000000      1.013461000000
  H                                                 1.180208000000      1.114623000000      2.156980000000
  H                                                 2.203896000000     -1.136230000000     -1.012433000000
  H                                                 1.615436000000     -0.167935000000     -2.156845000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          14          12          12          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           2           0           0           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 21:36:47 2021, MaxMem= 10737418240 cpu:               2.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.478199   -2.838320    0.749399
      2          6           0       -0.645629   -2.804461   -0.750307
      3          7           0       -1.078681   -1.418399   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.452614   -1.723960    1.149911
      6          7           0        1.266579    1.253203    1.150361
      7          6           0        2.697130    1.004980    0.749740
      8          6           0        2.751749    0.843414   -0.749999
      9          7           0        1.767955   -0.224596   -1.150132
     10          7           0       -0.689162    1.644142   -1.149359
     11          6           0       -2.106386    1.961118   -0.750083
     12          6           0       -2.219517    1.832701    0.749582
     13          7           0       -1.719027    0.469782    1.150195
     14          1           0        3.756021    0.579430   -1.083089
     15          1           0        2.470270    1.765046   -1.260306
     16          1           0        3.333144    1.825874    1.082628
     17          1           0        3.035123    0.102500    1.259954
     18          1           0       -2.380317    2.962746   -1.083117
     19          1           0       -2.763117    1.256285   -1.260915
     20          1           0       -3.248557    1.972847    1.082181
     21          1           0       -1.607166    2.576710    1.260000
     22          1           0       -1.376439   -3.542110   -1.083457
     23          1           0        0.293217   -3.021476   -1.260748
     24          1           0       -0.085550   -3.799768    1.082032
     25          1           0       -1.428624   -2.679610    1.259901
     26          1           0        1.413300   -2.037405    1.012360
     27          1           0        0.376507   -1.580276    2.156655
     28          1           0       -2.086004   -1.339860   -1.011556
     29          1           0       -0.954028   -1.314487   -2.156803
     30          1           0       -2.470374   -0.206011    1.012941
     31          1           0       -1.556269    0.464260    2.156877
     32          1           0       -0.118063    2.477516   -1.010037
     33          1           0       -0.660849    1.484860   -2.156217
     34          1           0        1.057396    2.241932    1.013461
     35          1           0        1.180208    1.114623    2.156980
     36          1           0        2.203896   -1.136230   -1.012433
     37          1           0        1.615436   -0.167935   -2.156845
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509403   0.000000
     3  N    2.446350   1.506150   0.000000
     4  Rh   2.974334   2.974114   2.120972   0.000000
     5  N    1.506194   2.446313   2.779930   2.121124   0.000000
     6  N    4.466048   4.871726   4.234330   2.120740   3.086428
     7  C    4.985345   5.285454   4.872236   2.974206   3.555995
     8  C    5.122101   4.984894   4.466321   2.974135   3.935364
     9  N    3.935096   3.555412   3.086827   2.121032   3.044407
    10  N    4.872602   4.466677   3.087213   2.121143   4.234903
    11  C    5.285267   4.984431   3.554895   2.974173   4.872192
    12  C    4.985040   5.121529   3.934428   2.974390   4.466585
    13  N    3.555816   3.935068   3.044069   2.121036   3.086831
    14  H    5.741746   5.562013   5.231649   3.951698   4.604823
    15  H    5.824377   5.554216   4.768808   3.287173   4.696088
    16  H    6.032585   6.374189   5.913909   3.951555   4.572013
    17  H    4.610046   5.102892   5.004457   3.287741   3.165031
    18  H    6.374052   6.031632   4.570904   3.951851   5.914146
    19  H    5.101765   4.608051   3.162839   3.286865   5.003486
    20  H    5.561740   5.740725   4.603447   3.951779   5.231600
    21  H    5.554982   5.824336   4.695582   3.287829   4.769756
    22  H    2.159055   1.090504   2.145517   3.951687   3.411603
    23  H    2.160861   1.090448   2.112869   3.287136   2.742304
    24  H    1.090505   2.159118   3.411653   3.951795   2.145509
    25  H    1.090463   2.160927   2.742432   3.287710   2.112918
    26  H    2.070841   2.816835   3.356950   2.678277   1.019846
    27  H    2.072092   3.315693   3.616354   2.700005   1.019790
    28  H    2.816271   2.070746   1.019827   2.677789   3.356196
    29  H    3.315794   2.072043   1.019758   2.700086   3.616721
    30  H    3.311686   3.631898   2.843446   2.677978   3.296481
    31  H    3.748368   4.468279   3.835127   2.699919   3.136542
    32  H    5.611009   5.314609   4.015039   2.678069   4.758513
    33  H    5.212087   4.513877   3.100949   2.700190   4.739916
    34  H    5.313825   5.610459   4.758318   2.677844   4.014060
    35  H    4.511913   5.210107   4.738688   2.699482   3.098570
    36  H    3.632464   3.312325   3.297555   2.678260   2.843967
    37  H    4.467720   3.747270   3.136173   2.699970   3.835102
                    6          7          8          9         10
     6  N    0.000000
     7  C    1.506183   0.000000
     8  C    2.446431   1.509405   0.000000
     9  N    2.779845   2.446372   1.506188   0.000000
    10  N    3.044087   3.934727   3.555351   3.087006   0.000000
    11  C    3.935699   5.122249   4.985051   4.466308   1.506127
    12  C    3.556586   4.985834   5.285917   4.872506   2.446123
    13  N    3.086680   4.466458   4.872184   4.234703   2.779873
    14  H    3.411684   2.159075   1.090504   2.145544   4.571395
    15  H    2.742658   2.160891   1.090435   2.112832   3.163690
    16  H    2.145514   1.090502   2.159113   3.411665   4.603666
    17  H    2.112789   1.090425   2.160825   2.742484   4.695929
    18  H    4.605520   5.742184   5.562431   5.231807   2.145486
    19  H    4.696031   5.824104   5.553850   4.768217   2.112858
    20  H    4.572635   6.033115   6.374651   5.914167   3.411498
    21  H    3.165770   4.610603   5.103386   5.004747   2.741792
    22  H    5.913587   6.374214   6.032077   4.571385   5.232008
    23  H    5.003375   5.102275   4.608972   3.163799   4.769221
    24  H    5.231198   5.562313   5.741580   4.604334   5.914356
    25  H    4.768976   5.555026   5.824681   4.696112   5.004615
    26  H    3.296767   3.312596   3.632695   2.844016   4.758904
    27  H    3.135835   3.748099   4.468186   3.835210   4.739436
    28  H    4.757906   5.610598   5.314033   4.014476   3.297639
    29  H    4.739352   5.211418   4.513138   3.100071   3.136652
    30  H    4.014101   5.314026   5.610688   4.758431   3.357279
    31  H    3.099028   4.512628   5.210826   4.739335   3.615964
    32  H    2.843149   3.631871   3.312662   3.298196   1.019842
    33  H    3.834332   4.466642   3.746295   3.135847   1.019772
    34  H    1.019845   2.070828   2.817175   3.357051   2.843520
    35  H    1.019778   2.072052   3.315693   3.616067   3.834946
    36  H    3.356431   2.816614   2.070750   1.019844   4.014848
    37  H    3.616483   3.315724   2.072016   1.019776   3.099971
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509399   0.000000
    13  N    2.446464   1.506164   0.000000
    14  H    6.032228   6.374671   5.914028   0.000000
    15  H    4.609181   5.102777   5.003842   1.757910   0.000000
    16  H    5.741568   5.562644   5.231442   2.534320   2.497517
    17  H    5.824931   5.555656   4.769579   2.497400   3.071617
    18  H    1.090508   2.159084   3.411723   6.582920   4.999408
    19  H    1.090429   2.160985   2.742656   6.556593   5.258058
    20  H    2.159140   1.090498   2.145528   7.462849   6.183479
    21  H    2.160696   1.090436   2.112751   6.184090   4.861710
    22  H    5.561428   5.741028   4.604546   6.582495   6.557008
    23  H    5.553838   5.823941   4.695812   4.998910   5.258360
    24  H    6.374028   6.032333   4.571865   6.214724   6.556365
    25  H    5.102524   4.609435   3.164655   6.556789   6.427113
    26  H    5.610934   5.314521   4.014531   4.089875   4.554210
    27  H    5.211080   4.513049   3.099510   5.155714   5.220215
    28  H    3.311380   3.631057   2.842999   6.149638   5.519235
    29  H    3.746515   4.466915   3.834720   5.188867   4.691806
    30  H    2.817302   2.070902   1.019832   6.616514   5.784694
    31  H    3.315664   2.071958   1.019769   6.223429   5.438952
    32  H    2.070669   2.815698   3.355694   4.314695   2.696241
    33  H    2.072103   3.315736   3.616972   4.634668   3.268802
    34  H    3.632969   3.312893   3.296625   3.800265   2.719127
    35  H    4.468699   3.748938   3.136080   4.173642   3.710142
    36  H    5.314219   5.611224   4.758735   2.314643   2.924004
    37  H    4.512627   5.211212   4.739392   2.508707   2.295853
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757919   0.000000
    18  H    6.215027   6.557284   0.000000
    19  H    6.555991   6.426942   1.757884   0.000000
    20  H    6.583342   6.558539   2.534217   2.497841   0.000000
    21  H    5.000188   5.260472   2.497395   3.071605   1.757963
    22  H    7.462396   6.183578   6.581863   4.997896   6.213660
    23  H    6.182990   4.861195   6.556695   5.257415   6.555665
    24  H    6.582957   4.999795   7.462267   6.182430   6.582378
    25  H    6.557839   5.259769   6.183173   4.860726   4.998910
    26  H    4.314587   2.696443   6.616953   5.784344   6.149789
    27  H    4.636496   3.271704   6.223765   5.439035   5.188474
    28  H    6.616241   5.784989   4.313254   2.694556   4.087700
    29  H    6.223795   5.440166   4.634849   3.268683   5.153877
    30  H    6.149328   5.519664   3.800341   2.719270   2.314689
    31  H    5.187905   4.692145   4.173613   3.710133   2.508913
    32  H    4.088363   4.553695   2.314861   2.924150   3.798955
    33  H    5.153483   5.219325   2.508438   2.296376   4.173917
    34  H    2.314502   2.923924   4.090609   4.554186   4.314900
    35  H    2.509032   2.295595   5.156658   5.220334   4.637424
    36  H    3.799808   2.718296   6.149928   5.518794   6.616873
    37  H    4.173725   3.709874   5.188458   4.690716   6.223557
                   21         22         23         24         25
    21  H    0.000000
    22  H    6.556293   0.000000
    23  H    6.426921   1.757909   0.000000
    24  H    6.557931   2.534191   2.497563   0.000000
    25  H    5.259351   2.497590   3.071690   1.757908   0.000000
    26  H    5.520380   3.799899   2.718456   2.314590   2.924079
    27  H    4.692492   4.173720   3.709803   2.508875   2.295910
    28  H    4.552886   2.314856   2.924145   3.799483   2.717829
    29  H    5.219439   2.508547   2.296159   4.173839   3.709807
    30  H    2.923987   4.089148   4.553454   4.313612   2.695352
    31  H    2.295523   5.155881   5.220260   4.636835   3.271816
    32  H    2.716677   6.150187   5.520047   6.616805   5.784992
    33  H    3.709204   5.189731   4.692459   6.224510   5.440786
    34  H    2.696803   6.616325   5.784415   6.149241   5.519294
    35  H    3.272877   6.222703   5.438284   5.187378   4.691158
    36  H    5.785678   4.314175   2.695646   4.089350   4.554199
    37  H    5.439951   4.635573   3.270160   5.154987   5.220054
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.610378   0.000000
    28  H    4.102186   4.019866   0.000000
    29  H    4.021249   4.521823   1.610467   0.000000
    30  H    4.293824   3.361758   2.352008   3.684468   0.000000
    31  H    4.048035   2.813494   3.684350   4.704728   1.610416
    32  H    5.178771   5.170901   4.294782   4.048851   4.102088
    33  H    5.171878   5.391849   3.364574   2.814658   4.022063
    34  H    4.294112   4.047194   5.177923   5.171510   4.293901
    35  H    3.361513   2.812191   5.170324   5.391128   4.047178
    36  H    2.353071   3.685057   4.294730   3.363606   5.178441
    37  H    3.685056   4.704884   4.047932   2.813668   5.171348
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.018828   0.000000
    33  H    4.521745   1.610500   0.000000
    34  H    3.361363   2.351967   3.684071   0.000000
    35  H    2.812699   3.684153   4.704278   1.610448   0.000000
    36  H    5.171551   4.295423   4.047854   4.102522   4.019882
    37  H    5.391436   3.364312   2.813042   4.021158   4.521445
                   36         37
    36  H    0.000000
    37  H    1.610453   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 1.97D-12
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.477057   -2.838512    0.749399
      2          6           0       -0.644501   -2.804721   -0.750307
      3          7           0       -1.078110   -1.418833   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.453307   -1.723778    1.149911
      6          7           0        1.266075    1.253712    1.150361
      7          6           0        2.696725    1.006065    0.749740
      8          6           0        2.751409    0.844521   -0.749999
      9          7           0        1.768045   -0.223885   -1.150132
     10          7           0       -0.689823    1.643865   -1.149359
     11          6           0       -2.107175    1.960270   -0.750083
     12          6           0       -2.220254    1.831808    0.749582
     13          7           0       -1.719216    0.469090    1.150195
     14          1           0        3.755788    0.580941   -1.083089
     15          1           0        2.469560    1.766040   -1.260306
     16          1           0        3.332409    1.827215    1.082628
     17          1           0        3.035082    0.103721    1.259954
     18          1           0       -2.381509    2.961788   -1.083117
     19          1           0       -2.763622    1.255173   -1.260915
     20          1           0       -3.249350    1.971540    1.082181
     21          1           0       -1.608202    2.576063    1.260000
     22          1           0       -1.375014   -3.542663   -1.083457
     23          1           0        0.294432   -3.021358   -1.260748
     24          1           0       -0.084021   -3.799802    1.082032
     25          1           0       -1.427546   -2.680185    1.259901
     26          1           0        1.414120   -2.036836    1.012360
     27          1           0        0.377143   -1.580124    2.156655
     28          1           0       -2.085465   -1.340699   -1.011556
     29          1           0       -0.953499   -1.314871   -2.156803
     30          1           0       -2.470291   -0.207005    1.012941
     31          1           0       -1.556456    0.463634    2.156877
     32          1           0       -0.119060    2.477468   -1.010037
     33          1           0       -0.661446    1.484594   -2.156217
     34          1           0        1.056494    2.242357    1.013461
     35          1           0        1.179760    1.115098    2.156980
     36          1           0        2.204353   -1.135343   -1.012433
     37          1           0        1.615503   -0.167285   -2.156845
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.6901150           0.6900165           0.4769981
 Leave Link  202 at Thu Jul  8 21:36:48 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7      8     11     12
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      6      9     10     13
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  6.9200000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -3.8393000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.7601900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -6.2992500000D-01
     Exponent=  1.2294000000D+00 Coefficients=  8.4954400000D-01
     Exponent=  5.5681400000D-01 Coefficients=  4.4572900000D-01
     Exponent=  1.1406700000D-01 Coefficients=  1.8204000000D-02
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients= -1.7800000000D-04
     Exponent=  2.1997400000D+01 Coefficients=  9.4560000000D-03
     Exponent=  1.3761600000D+01 Coefficients= -4.9472000000D-02
     Exponent=  5.0872000000D+00 Coefficients=  2.0186700000D-01
     Exponent=  1.2294000000D+00 Coefficients= -3.6980900000D-01
     Exponent=  5.5681400000D-01 Coefficients= -2.6533100000D-01
     Exponent=  1.1406700000D-01 Coefficients=  5.8915400000D-01
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  8.3700000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -4.0286000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.5064900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -5.2685100000D-01
     Exponent=  1.2294000000D+00 Coefficients=  1.5723820000D+00
     Exponent=  5.5681400000D-01 Coefficients= -8.8764300000D-01
     Exponent=  1.1406700000D-01 Coefficients= -1.4709450000D+00
 S 1 1.00
     Exponent=  4.1415000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5000000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients=  3.1821000000D-02
     Exponent=  6.6247600000D+00 Coefficients= -1.9302800000D-01
     Exponent=  1.6961300000D+00 Coefficients=  5.0624200000D-01
     Exponent=  7.9735100000D-01 Coefficients=  4.9490200000D-01
     Exponent=  3.5203400000D-01 Coefficients=  1.4403000000D-01
     Exponent=  1.2334200000D-01 Coefficients=  5.6080000000D-03
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -8.5830000000D-03
     Exponent=  6.6247600000D+00 Coefficients=  5.6811000000D-02
     Exponent=  1.6961300000D+00 Coefficients= -1.8017200000D-01
     Exponent=  7.9735100000D-01 Coefficients= -2.0341100000D-01
     Exponent=  3.5203400000D-01 Coefficients=  8.4818000000D-02
     Exponent=  1.2334200000D-01 Coefficients=  6.0105700000D-01
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -1.5164000000D-02
     Exponent=  6.6247600000D+00 Coefficients=  1.0112500000D-01
     Exponent=  1.6961300000D+00 Coefficients= -3.4564100000D-01
     Exponent=  7.9735100000D-01 Coefficients= -3.4548500000D-01
     Exponent=  3.5203400000D-01 Coefficients=  4.2210200000D-01
     Exponent=  1.2334200000D-01 Coefficients=  7.3047900000D-01
 P 1 1.00
     Exponent=  4.3130000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5100000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients=  6.4810000000D-03
     Exponent=  1.1704600000D+01 Coefficients= -1.3942000000D-02
     Exponent=  2.2555800000D+00 Coefficients=  2.5068200000D-01
     Exponent=  9.4941100000D-01 Coefficients=  4.5111100000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.8399900000D-01
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients= -7.5900000000D-03
     Exponent=  1.1704600000D+01 Coefficients=  1.6294000000D-02
     Exponent=  2.2555800000D+00 Coefficients= -3.3477300000D-01
     Exponent=  9.4941100000D-01 Coefficients= -4.4639600000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.2996700000D-01
 D 1 1.00
     Exponent=  1.2397700000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.2000000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  9.9360000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2220000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2       12.1948160      225.31205400    0.00000000
                                                     2        5.4051370       32.44158200    0.00000000
                                      P - G
                                                     2       11.2807550       52.87282600    0.00000000
                                                     2       10.9272480      105.74552600    0.00000000
                                                     2        5.0901170        8.61934400    0.00000000
                                                     2        4.8518320       16.97345900    0.00000000
                                      D - G
                                                     2        9.1363370       25.10850100    0.00000000
                                                     2        8.9648080       37.69573100    0.00000000
                                                     2        3.6436120        4.20258400    0.00000000
                                                     2        3.6360070        6.29279000    0.00000000
                                      F - G
                                                     2        8.6162280       -9.67356800    0.00000000
                                                     2        8.6294350      -12.89984700    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          7
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  50 primitive shells out of 585 were deleted.
 There are   580 symmetry adapted cartesian basis functions of A   symmetry.
 There are   546 symmetry adapted basis functions of A   symmetry.
   546 basis functions,   991 primitive gaussians,   580 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.1851107110 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 21:36:51 2021, MaxMem= 10737418240 cpu:              41.7 elap:               2.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29888 LenP2D=  115189.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   546 RedAO= T EigKep=  1.12D-06  NBF=   546
 NBsUse=   546 1.00D-06 EigRej= -1.00D+00 NBFU=   546
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   580   580   580   580   580 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Thu Jul  8 21:36:53 2021, MaxMem= 10737418240 cpu:              30.2 elap:               1.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 21:36:54 2021, MaxMem= 10737418240 cpu:               3.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36a_RhEn3-lel3_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 21:36:55 2021, MaxMem= 10737418240 cpu:              22.8 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736730423 LenY= 10736393443
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.530819436060    
 DIIS: error= 5.53D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.530819436060     IErMin= 1 ErrMin= 5.53D-02
 ErrMax= 5.53D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-01 BMatP= 1.16D-01
 IDIUse=3 WtCom= 4.47D-01 WtEn= 5.53D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.446 Goal=   None    Shift=    0.000
 GapD=    0.446 DampG=2.000 DampE=0.250 DampFc=0.5000 IDamp=-1.
 Damping current iteration by 5.00D-01
 RMSDP=1.71D-02 MaxDP=4.41D+00              OVMax= 3.40D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.10D-03    CP:  1.19D+00
 E= -680.545202302434     Delta-E=       -0.014382866374 Rises=F Damp=T
 DIIS: error= 2.83D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.545202302434     IErMin= 2 ErrMin= 2.83D-02
 ErrMax= 2.83D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.04D-02 BMatP= 1.16D-01
 IDIUse=3 WtCom= 7.17D-01 WtEn= 2.83D-01
 Coeff-Com: -0.920D+00 0.192D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.660D+00 0.166D+01
 Gap=     0.456 Goal=   None    Shift=    0.000
 RMSDP=1.32D-02 MaxDP=4.24D+00 DE=-1.44D-02 OVMax= 1.81D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.10D-03    CP:  1.51D+00  2.37D+00
 E= -680.559194722889     Delta-E=       -0.013992420455 Rises=F Damp=F
 DIIS: error= 3.89D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.559194722889     IErMin= 3 ErrMin= 3.89D-03
 ErrMax= 3.89D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.65D-03 BMatP= 3.04D-02
 IDIUse=3 WtCom= 9.61D-01 WtEn= 3.89D-02
 Coeff-Com: -0.509D+00 0.987D+00 0.521D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.489D+00 0.949D+00 0.540D+00
 Gap=     0.452 Goal=   None    Shift=    0.000
 RMSDP=1.01D-03 MaxDP=3.21D-01 DE=-1.40D-02 OVMax= 1.52D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.16D-04    CP:  1.49D+00  2.38D+00  7.33D-01
 E= -680.562286622589     Delta-E=       -0.003091899701 Rises=F Damp=F
 DIIS: error= 5.10D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.562286622589     IErMin= 4 ErrMin= 5.10D-04
 ErrMax= 5.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-04 BMatP= 4.65D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.10D-03
 Coeff-Com:  0.656D-02-0.179D-01 0.164D+00 0.848D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.653D-02-0.178D-01 0.163D+00 0.848D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=6.21D-04 MaxDP=2.27D-01 DE=-3.09D-03 OVMax= 2.54D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.46D-05    CP:  1.51D+00  2.41D+00  8.66D-01  9.48D-01
 E= -680.562457764126     Delta-E=       -0.000171141536 Rises=F Damp=F
 DIIS: error= 8.63D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.562457764126     IErMin= 5 ErrMin= 8.63D-05
 ErrMax= 8.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.71D-06 BMatP= 2.20D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.707D-01-0.138D+00-0.319D-01 0.137D+00 0.962D+00
 Coeff:      0.707D-01-0.138D+00-0.319D-01 0.137D+00 0.962D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=2.00D-04 MaxDP=7.40D-02 DE=-1.71D-04 OVMax= 1.07D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.58D-05    CP:  1.51D+00  2.42D+00  9.10D-01  9.58D-01  1.09D+00
 E= -680.562468840353     Delta-E=       -0.000011076228 Rises=F Damp=F
 DIIS: error= 2.42D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.562468840353     IErMin= 6 ErrMin= 2.42D-05
 ErrMax= 2.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.28D-07 BMatP= 5.71D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.166D-01-0.322D-01-0.177D-01-0.286D-01 0.287D+00 0.775D+00
 Coeff:      0.166D-01-0.322D-01-0.177D-01-0.286D-01 0.287D+00 0.775D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.17D-05 MaxDP=2.75D-03 DE=-1.11D-05 OVMax= 2.63D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.39D-06    CP:  1.51D+00  2.42D+00  9.09D-01  9.58D-01  1.16D+00
                    CP:  9.00D-01
 E= -680.562469705291     Delta-E=       -0.000000864938 Rises=F Damp=F
 DIIS: error= 1.01D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.562469705291     IErMin= 7 ErrMin= 1.01D-05
 ErrMax= 1.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.19D-08 BMatP= 7.28D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.660D-02 0.130D-01 0.130D-02-0.329D-01-0.672D-01 0.208D+00
 Coeff-Com:  0.884D+00
 Coeff:     -0.660D-02 0.130D-01 0.130D-02-0.329D-01-0.672D-01 0.208D+00
 Coeff:      0.884D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=9.49D-06 MaxDP=2.91D-03 DE=-8.65D-07 OVMax= 8.68D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.53D-06    CP:  1.51D+00  2.41D+00  9.08D-01  9.52D-01  1.19D+00
                    CP:  9.27D-01  1.23D+00
 E= -680.562469825717     Delta-E=       -0.000000120426 Rises=F Damp=F
 DIIS: error= 2.17D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.562469825717     IErMin= 8 ErrMin= 2.17D-06
 ErrMax= 2.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.46D-09 BMatP= 9.19D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.320D-02 0.630D-02 0.151D-02-0.108D-01-0.399D-01 0.260D-01
 Coeff-Com:  0.281D+00 0.739D+00
 Coeff:     -0.320D-02 0.630D-02 0.151D-02-0.108D-01-0.399D-01 0.260D-01
 Coeff:      0.281D+00 0.739D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.15D-06 MaxDP=1.60D-04 DE=-1.20D-07 OVMax= 1.63D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.03D-07    CP:  1.51D+00  2.41D+00  9.08D-01  9.51D-01  1.19D+00
                    CP:  9.32D-01  1.30D+00  1.02D+00
 E= -680.562469832677     Delta-E=       -0.000000006959 Rises=F Damp=F
 DIIS: error= 5.99D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.562469832677     IErMin= 9 ErrMin= 5.99D-07
 ErrMax= 5.99D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.42D-10 BMatP= 6.46D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.283D-03-0.562D-03 0.161D-03 0.229D-02 0.199D-02-0.201D-01
 Coeff-Com: -0.620D-01 0.109D+00 0.969D+00
 Coeff:      0.283D-03-0.562D-03 0.161D-03 0.229D-02 0.199D-02-0.201D-01
 Coeff:     -0.620D-01 0.109D+00 0.969D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=6.29D-07 MaxDP=1.41D-04 DE=-6.96D-09 OVMax= 7.41D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.07D-07    CP:  1.51D+00  2.41D+00  9.08D-01  9.51D-01  1.20D+00
                    CP:  9.27D-01  1.33D+00  1.10D+00  1.07D+00
 E= -680.562469833356     Delta-E=       -0.000000000680 Rises=F Damp=F
 DIIS: error= 3.15D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -680.562469833356     IErMin=10 ErrMin= 3.15D-07
 ErrMax= 3.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-11 BMatP= 3.42D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.122D-03-0.239D-03-0.892D-04 0.385D-03 0.168D-02-0.185D-03
 Coeff-Com: -0.730D-02-0.426D-01-0.615D-01 0.111D+01
 Coeff:      0.122D-03-0.239D-03-0.892D-04 0.385D-03 0.168D-02-0.185D-03
 Coeff:     -0.730D-02-0.426D-01-0.615D-01 0.111D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=9.92D-08 MaxDP=1.53D-05 DE=-6.80D-10 OVMax= 3.50D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.16D-08    CP:  1.51D+00  2.41D+00  9.08D-01  9.51D-01  1.20D+00
                    CP:  9.27D-01  1.34D+00  1.11D+00  1.09D+00  1.22D+00
 E= -680.562469833370     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 1.73D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -680.562469833370     IErMin=11 ErrMin= 1.73D-07
 ErrMax= 1.73D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.93D-12 BMatP= 1.61D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.671D-04 0.132D-03 0.839D-05-0.343D-03-0.718D-03 0.206D-02
 Coeff-Com:  0.840D-02 0.216D-02-0.787D-01-0.333D+00 0.140D+01
 Coeff:     -0.671D-04 0.132D-03 0.839D-05-0.343D-03-0.718D-03 0.206D-02
 Coeff:      0.840D-02 0.216D-02-0.787D-01-0.333D+00 0.140D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=6.31D-08 MaxDP=2.09D-05 DE=-1.32D-11 OVMax= 2.45D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.59D-08    CP:  1.51D+00  2.41D+00  9.08D-01  9.51D-01  1.20D+00
                    CP:  9.27D-01  1.34D+00  1.11D+00  1.09D+00  1.30D+00
                    CP:  1.43D+00
 E= -680.562469833283     Delta-E=        0.000000000087 Rises=F Damp=F
 DIIS: error= 7.01D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -680.562469833370     IErMin=12 ErrMin= 7.01D-08
 ErrMax= 7.01D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.43D-13 BMatP= 2.93D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.107D-04 0.210D-04 0.180D-04-0.220D-04-0.189D-03-0.359D-03
 Coeff-Com: -0.277D-03 0.880D-02 0.266D-01-0.176D+00-0.230D+00 0.137D+01
 Coeff:     -0.107D-04 0.210D-04 0.180D-04-0.220D-04-0.189D-03-0.359D-03
 Coeff:     -0.277D-03 0.880D-02 0.266D-01-0.176D+00-0.230D+00 0.137D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.96D-08 MaxDP=3.62D-06 DE= 8.69D-11 OVMax= 1.30D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.35D-08    CP:  1.51D+00  2.41D+00  9.08D-01  9.51D-01  1.20D+00
                    CP:  9.27D-01  1.34D+00  1.11D+00  1.08D+00  1.31D+00
                    CP:  1.61D+00  1.24D+00
 E= -680.562469833405     Delta-E=       -0.000000000122 Rises=F Damp=F
 DIIS: error= 1.27D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -680.562469833405     IErMin=13 ErrMin= 1.27D-08
 ErrMax= 1.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-13 BMatP= 5.43D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.252D-05-0.500D-05 0.664D-05 0.265D-04-0.294D-05-0.375D-03
 Coeff-Com: -0.102D-02 0.375D-02 0.201D-01-0.438D-01-0.244D+00 0.608D+00
 Coeff-Com:  0.657D+00
 Coeff:      0.252D-05-0.500D-05 0.664D-05 0.265D-04-0.294D-05-0.375D-03
 Coeff:     -0.102D-02 0.375D-02 0.201D-01-0.438D-01-0.244D+00 0.608D+00
 Coeff:      0.657D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=4.85D-09 MaxDP=4.09D-07 DE=-1.22D-10 OVMax= 2.31D-07

 SCF Done:  E(RM11) =  -680.562469833     A.U. after   13 cycles
            NFock= 13  Conv=0.49D-08     -V/T= 2.1219
 KE= 6.066341156388D+02 PE=-3.903431295209D+03 EE= 1.418049599026D+03
 Leave Link  502 at Thu Jul  8 21:58:45 2021, MaxMem= 10737418240 cpu:           20928.8 elap:            1309.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   546
 NBasis=   546 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    546 NOA=    58 NOB=    58 NVA=   488 NVB=   488

 **** Warning!!: The largest alpha MO coefficient is  0.40808298D+03

 Leave Link  801 at Thu Jul  8 21:58:46 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11517 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D+00 2.36D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.72D-13 8.33D-09 XBig12= 1.30D-01 3.98D-02.
     11 vectors produced by pass  2 Test12= 4.72D-13 8.33D-09 XBig12= 3.71D-02 6.15D-02.
     11 vectors produced by pass  3 Test12= 4.72D-13 8.33D-09 XBig12= 6.06D-03 2.45D-02.
     11 vectors produced by pass  4 Test12= 4.72D-13 8.33D-09 XBig12= 1.02D-03 7.76D-03.
     11 vectors produced by pass  5 Test12= 4.72D-13 8.33D-09 XBig12= 9.05D-05 2.26D-03.
     11 vectors produced by pass  6 Test12= 4.72D-13 8.33D-09 XBig12= 2.23D-05 1.36D-03.
     11 vectors produced by pass  7 Test12= 4.72D-13 8.33D-09 XBig12= 4.47D-06 5.30D-04.
     11 vectors produced by pass  8 Test12= 4.72D-13 8.33D-09 XBig12= 3.06D-07 1.21D-04.
     11 vectors produced by pass  9 Test12= 4.72D-13 8.33D-09 XBig12= 2.22D-08 2.40D-05.
     11 vectors produced by pass 10 Test12= 4.72D-13 8.33D-09 XBig12= 1.61D-09 9.20D-06.
      9 vectors produced by pass 11 Test12= 4.72D-13 8.33D-09 XBig12= 7.92D-11 2.09D-06.
      2 vectors produced by pass 12 Test12= 4.72D-13 8.33D-09 XBig12= 2.54D-12 2.51D-07.
      1 vectors produced by pass 13 Test12= 4.72D-13 8.33D-09 XBig12= 8.82D-14 2.66D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   133 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.151983D+03
      2 -0.424697D-01  0.152023D+03
      3  0.246584D-02 -0.127817D-01  0.126312D+03
 Isotropic polarizability for W=    0.085645      143.44 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.564807D+02  0.846234D+02  0.876213D-01
      2  -0.565536D+02 -0.846184D+02 -0.786391D-01
      3   0.728620D-01 -0.500940D-02 -0.898222D-02
      4   0.845850D+02 -0.564694D+02  0.391267D-02
      5  -0.516964D-01  0.468162D+01  0.133736D+00
      6  -0.463119D+01 -0.436956D-01 -0.105753D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.286982D+00  0.824315D-01  0.985171D-01
      2   0.645747D-01 -0.285125D+00  0.834731D-01
      3  -0.884082D-01 -0.111675D+00 -0.444126D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.467770D+01  0.349435D-01  0.100743D+00
      2   0.139318D+00  0.463510D+01  0.608738D-01
      3  -0.384879D-01 -0.841736D-01 -0.931281D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.119377D+01 -0.149689D-01  0.525473D-02
      2  -0.149689D-01 -0.120535D+01  0.413807D-02
      3   0.525473D-02  0.413807D-02 -0.261425D+01
 OR G Eigenvalues:    -2.6143    -1.2156    -1.1835  Iso=     1.6711
 Eigenvectors:
   (1)  -0.003730  -0.002977   0.999989
   (2)   0.565135   0.824986   0.004564
   (3)   0.824990  -0.565146   0.001395
 w=    0.085645 a.u., Optical Rotation Beta=      1.6711 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      279.86 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  149331 ScalPx= 2.28D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.97D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 3.61D-01.
     30 vectors produced by pass  1 Test12= 7.86D-14 2.78D-09 XBig12= 4.78D-01 3.20D-01.
     30 vectors produced by pass  2 Test12= 7.86D-14 2.78D-09 XBig12= 1.94D-02 2.97D-02.
     30 vectors produced by pass  3 Test12= 7.86D-14 2.78D-09 XBig12= 3.83D-04 4.72D-03.
     30 vectors produced by pass  4 Test12= 7.86D-14 2.78D-09 XBig12= 1.07D-05 4.43D-04.
     30 vectors produced by pass  5 Test12= 7.86D-14 2.78D-09 XBig12= 3.13D-07 6.38D-05.
     30 vectors produced by pass  6 Test12= 7.86D-14 2.78D-09 XBig12= 4.08D-09 1.01D-05.
     30 vectors produced by pass  7 Test12= 7.86D-14 2.78D-09 XBig12= 4.44D-11 1.13D-06.
     30 vectors produced by pass  8 Test12= 7.86D-14 2.78D-09 XBig12= 5.49D-13 9.38D-08.
      8 vectors produced by pass  9 Test12= 7.86D-14 2.78D-09 XBig12= 9.40D-15 9.55D-09.
      1 vectors produced by pass 10 Test12= 7.86D-14 2.78D-09 XBig12= 1.32D-15 5.89D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   279 with    30 vectors.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.50D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.50D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.48D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.151983D+03 -0.424697D-01  0.246584D-02
      2  -0.424697D-01  0.152023D+03 -0.127817D-01
      3   0.246584D-02 -0.127817D-01  0.126312D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.286982D+00  0.824315D-01  0.985171D-01
      2   0.645747D-01 -0.285125D+00  0.834731D-01
      3  -0.884082D-01 -0.111675D+00 -0.444126D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.564807D+02  0.846234D+02  0.876213D-01
      2  -0.565536D+02 -0.846184D+02 -0.786391D-01
      3   0.728620D-01 -0.500940D-02 -0.898222D-02
      4   0.845850D+02 -0.564694D+02  0.391267D-02
      5  -0.516964D-01  0.468162D+01  0.133736D+00
      6  -0.463119D+01 -0.436956D-01 -0.105753D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.294506D+01 -0.956757D+00 -0.267095D+01 -0.111805D+01 -0.286589D+01
      2  -0.956757D+00 -0.476141D+01  0.116443D+01 -0.286589D+01  0.564167D+01
      3  -0.267095D+01  0.116443D+01  0.875617D+00  0.415677D+00 -0.328261D+01
                 6             7             8             9            10 
      1   0.415677D+00 -0.204632D+01  0.601410D+00  0.974598D+00 -0.158615D+01
      2  -0.328261D+01  0.601410D+00 -0.298459D+01  0.899269D+00  0.357790D+01
      3   0.631064D+00  0.974598D+00  0.899269D+00  0.766047D+00  0.331717D+01
                11            12            13            14            15 
      1   0.357790D+01  0.331717D+01  0.272556D+01  0.327232D+01  0.357807D+00
      2   0.491814D+01  0.107394D+01  0.327232D+01  0.630653D+00  0.264509D+01
      3   0.107394D+01 -0.591722D+00  0.357807D+00  0.264509D+01  0.924984D+00
                16            17            18            19            20 
      1   0.260675D+01  0.728725D+00 -0.590635D+00  0.654359D+00 -0.227574D+01
      2   0.728725D+00  0.245221D+01  0.113569D+01 -0.227574D+01 -0.288450D+01
      3  -0.590635D+00  0.113569D+01 -0.808248D+00 -0.197637D+01 -0.945477D+00
                21            22            23            24            25 
      1  -0.197637D+01 -0.365713D+01 -0.515798D+01 -0.205207D+01 -0.248831D+01
      2  -0.945477D+00 -0.515798D+01 -0.517506D+01 -0.443852D+01 -0.144564D+01
      3  -0.124277D+01 -0.205207D+01 -0.443852D+01 -0.213542D+01 -0.150702D+01
                26            27            28            29            30 
      1  -0.144564D+01 -0.150702D+01 -0.108610D+01 -0.155105D+01 -0.144042D-01
      2  -0.293383D+01 -0.179242D+01 -0.155105D+01  0.982011D+00 -0.178172D+01
      3  -0.179242D+01  0.148309D+01 -0.144042D-01 -0.178172D+01 -0.140940D-01
                31            32            33            34            35 
      1  -0.157902D+01  0.101281D+01  0.177492D+01  0.350131D-02 -0.552235D-02
      2   0.101281D+01  0.154157D+01 -0.215428D-01 -0.552235D-02 -0.779721D-02
      3   0.177492D+01 -0.215428D-01  0.133484D-02 -0.105857D-01 -0.459889D-02
                36            37            38            39            40 
      1  -0.105857D-01 -0.167252D+01  0.865919D+00  0.126672D+01  0.499584D+00
      2  -0.459889D-02  0.865919D+00  0.348961D+00  0.392745D+00  0.301594D+01
      3  -0.890612D-02  0.126672D+01  0.392745D+00  0.340430D+00 -0.745120D+00
                41            42            43            44            45 
      1   0.301594D+01 -0.745120D+00  0.150352D+01 -0.851988D+00  0.706670D+00
      2  -0.941844D+01  0.514173D+01 -0.851988D+00  0.387869D+01 -0.219880D+01
      3   0.514173D+01 -0.241997D+01  0.706670D+00 -0.219880D+01 -0.148139D+01
                46            47            48            49            50 
      1   0.349123D+01  0.482896D+01  0.403231D+01  0.272133D+01  0.328977D+01
      2   0.482896D+01  0.498367D+01  0.232993D+01  0.328977D+01  0.641928D+00
      3   0.403231D+01  0.232993D+01  0.196125D+01  0.120731D+01  0.239637D+01
                51            52            53            54            55 
      1   0.120731D+01  0.257597D+01  0.146263D+01  0.156745D+01  0.534883D+00
      2   0.239637D+01  0.146263D+01  0.287343D+01  0.173868D+01 -0.236552D+01
      3   0.150262D+01  0.156745D+01  0.173868D+01 -0.146218D+01 -0.246006D+01
                56            57            58            59            60 
      1  -0.236552D+01 -0.246006D+01 -0.382897D+01 -0.471176D+01 -0.973137D+00
      2  -0.363106D+01 -0.258768D+00 -0.471176D+01  0.607883D-01 -0.356256D+01
      3  -0.258768D+00 -0.994003D+00 -0.973137D+00 -0.356256D+01  0.496599D+00
                61            62            63            64            65 
      1  -0.221080D+01 -0.688259D+00 -0.121527D+01 -0.681031D+01  0.163439D+01
      2  -0.688259D+00 -0.281188D+01  0.418901D+00  0.163439D+01  0.209900D+01
      3  -0.121527D+01  0.418901D+00  0.791738D+00  0.345115D+01 -0.315276D+00
                66            67            68            69            70 
      1   0.345115D+01  0.361671D+01  0.218068D+01 -0.110533D+01  0.312834D+01
      2  -0.315276D+00  0.218068D+01 -0.236683D+01  0.253375D+01 -0.465425D+00
      3  -0.510891D+00 -0.110533D+01  0.253375D+01 -0.975148D+00 -0.761687D+00
                71            72            73            74            75 
      1  -0.465425D+00 -0.761687D+00  0.998702D+01 -0.145322D+01 -0.513316D+01
      2   0.192857D+01 -0.108346D+01 -0.145322D+01 -0.128442D+01  0.232326D+00
      3  -0.108346D+01 -0.764077D+00 -0.513316D+01  0.232326D+00  0.244969D+01
                76            77            78            79            80 
      1   0.116764D+01 -0.128223D+01 -0.873026D+00 -0.410255D+01  0.507744D+00
      2  -0.128223D+01  0.124174D+01 -0.130078D+01  0.507744D+00 -0.133142D+01
      3  -0.873026D+00 -0.130078D+01 -0.225146D-01  0.229176D+01 -0.404506D+00
                81            82            83            84            85 
      1   0.229176D+01 -0.219266D+00  0.147402D+01 -0.250681D+01  0.212578D+00
      2  -0.404506D+00  0.147402D+01 -0.622370D+01  0.236229D+01 -0.389543D+01
      3   0.146275D+01 -0.250681D+01  0.236229D+01 -0.122848D+01  0.124778D+01
                86            87            88            89            90 
      1  -0.389543D+01  0.124778D+01 -0.156080D+01  0.948172D+00 -0.801033D+00
      2   0.610921D+01 -0.386769D+01  0.948172D+00 -0.387869D+01  0.219235D+01
      3  -0.386769D+01  0.209812D+01 -0.801033D+00  0.219235D+01  0.145929D+01
                91            92            93            94            95 
      1  -0.144129D+01  0.163777D+01  0.220261D+01  0.586647D+00  0.440279D+01
      2   0.163777D+01  0.284450D+01  0.241400D+00  0.440279D+01 -0.521048D+01
      3   0.220261D+01  0.241400D+00  0.112173D+01 -0.457728D+00  0.381576D+01
                96            97            98            99           100 
      1  -0.457728D+00  0.185125D+01 -0.348058D+00  0.129779D+01  0.658381D+01
      2   0.381576D+01 -0.348058D+00  0.321661D+01 -0.102459D+00 -0.318557D+01
      3   0.446948D-01  0.129779D+01 -0.102459D+00 -0.734834D+00 -0.383129D+01
               101           102           103           104           105 
      1  -0.318557D+01 -0.383129D+01 -0.144089D+01 -0.259158D+01 -0.487416D+00
      2  -0.177720D+01  0.254617D+00 -0.259158D+01  0.789375D+00 -0.221152D+01
      3   0.254617D+00  0.103881D+00 -0.487416D+00 -0.221152D+01 -0.111666D+01
               106           107           108           109           110 
      1  -0.326983D+01  0.159602D+00  0.295881D+00 -0.790041D+01  0.308635D+01
      2   0.159602D+00 -0.179993D+01 -0.127922D+01  0.308635D+01  0.728623D+00
      3   0.295881D+00 -0.127922D+01  0.733338D+00  0.435895D+01 -0.103465D+01
               111           112           113           114           115 
      1   0.435895D+01  0.551554D+01 -0.230494D+00 -0.211183D+01  0.403074D+01
      2  -0.103465D+01 -0.230494D+00  0.480855D-01  0.205463D+01 -0.601818D+00
      3  -0.227192D+01 -0.211183D+01  0.205463D+01  0.920155D+00 -0.227617D+01
               116           117           118           119           120 
      1  -0.601818D+00 -0.227617D+01  0.108383D+02  0.530872D-01 -0.289298D+01
      2   0.135326D+01  0.493941D+00  0.530872D-01  0.100235D+01  0.588799D-01
      3   0.493941D+00 -0.145493D+01 -0.289298D+01  0.588799D-01  0.202341D+01
               121           122           123           124           125 
      1  -0.216897D+01  0.116237D+01  0.863463D+00 -0.293773D+01  0.661402D-01
      2   0.116237D+01  0.129567D+00 -0.783163D+00  0.661402D-01 -0.516248D+00
      3   0.863463D+00 -0.783163D+00 -0.260866D+00  0.246250D+01  0.166267D+00
               126           127           128           129           130 
      1   0.246250D+01 -0.551099D-01  0.680143D+00 -0.868247D+00  0.103172D+01
      2   0.166267D+00  0.680143D+00 -0.706946D+00  0.248990D+00  0.445296D+00
      3  -0.149241D+01 -0.868247D+00  0.248990D+00 -0.356369D+00 -0.128002D+00
               131           132           133           134           135 
      1   0.445296D+00 -0.128002D+00 -0.124245D+01 -0.363586D+00  0.374371D+00
      2   0.480594D+01 -0.223776D+01 -0.363586D+00 -0.184698D+01  0.176631D+01
      3  -0.223776D+01  0.230534D+01  0.374371D+00  0.176631D+01 -0.221403D+01
               136           137           138           139           140 
      1   0.573479D+01  0.297071D+01  0.171225D+01  0.450754D+01  0.399375D+01
      2   0.297071D+01  0.255188D+01  0.772179D+00  0.399375D+01  0.429031D+01
      3   0.171225D+01  0.772179D+00  0.145894D+01  0.152687D+01  0.201402D+01
               141           142           143           144           145 
      1   0.152687D+01  0.198414D+01  0.118465D+01  0.204193D+01  0.205584D+01
      2   0.201402D+01  0.118465D+01  0.146019D+01  0.135500D+01 -0.107162D+01
      3   0.143100D+01  0.204193D+01  0.135500D+01  0.146141D+01  0.132483D+01
               146           147           148           149           150 
      1  -0.107162D+01  0.132483D+01 -0.205991D+01  0.165286D+01 -0.865057D+00
      2   0.965499D+00 -0.462159D+00  0.165286D+01 -0.302996D+01  0.179196D+01
      3  -0.462159D+00  0.111351D+01 -0.865057D+00  0.179196D+01 -0.206161D+01
               151           152           153           154           155 
      1   0.181297D+01 -0.374278D+00  0.136983D+01 -0.227159D+01  0.182245D+01
      2  -0.374278D+00  0.129273D+01 -0.117086D+01  0.182245D+01 -0.200029D+01
      3   0.136983D+01 -0.117086D+01  0.222334D+01 -0.938396D+00  0.363112D+00
               156           157           158           159           160 
      1  -0.938396D+00  0.273290D+01 -0.388144D+01  0.108333D+01 -0.110319D+01
      2   0.363112D+00 -0.388144D+01  0.846662D+01 -0.274486D+01  0.107185D+01
      3  -0.832170D+00  0.108333D+01 -0.274486D+01  0.187388D+01 -0.139085D+01
               161           162           163           164           165 
      1   0.107185D+01 -0.139085D+01 -0.377942D+01 -0.896652D+00 -0.188167D+01
      2  -0.238130D+01  0.205823D+01 -0.896652D+00 -0.973127D+00 -0.394902D+00
      3   0.205823D+01 -0.148499D+01 -0.188167D+01 -0.394902D+00 -0.179404D+01
               166           167           168           169           170 
      1  -0.203417D+01 -0.126535D+01 -0.785668D+00 -0.200803D+01 -0.573195D-01
      2  -0.126535D+01 -0.145778D+01 -0.126868D+01 -0.573195D-01 -0.109683D+01
      3  -0.785668D+00 -0.126868D+01 -0.144310D+01 -0.169959D+01 -0.561148D+00
               171           172           173           174           175 
      1  -0.169959D+01 -0.972856D+01  0.324871D+01  0.292172D+01  0.116638D+01
      2  -0.561148D+00  0.324871D+01 -0.205058D+01 -0.833266D+00 -0.140029D+01
      3  -0.224541D+01  0.292172D+01 -0.833266D+00 -0.196199D+01 -0.832235D-01
               176           177           178           179           180 
      1  -0.140029D+01 -0.832235D-01  0.265253D+01 -0.874176D+00 -0.223615D+01
      2   0.151593D+01  0.796942D+00 -0.874176D+00  0.858529D+00  0.110635D+01
      3   0.796942D+00  0.562568D+00 -0.223615D+01  0.110635D+01  0.150105D+01
               181           182           183           184           185 
      1   0.110683D+01  0.103141D+01  0.113284D+01  0.914671D+00  0.665630D+00
      2   0.103141D+01  0.183790D+01  0.684204D+00  0.665630D+00  0.419284D+01
      3   0.113284D+01  0.684204D+00  0.118877D+01  0.306207D+00  0.201730D+01
               186           187           188           189           190 
      1   0.306207D+00  0.108978D+01 -0.648170D-01  0.318941D+00 -0.295456D+01
      2   0.201730D+01 -0.648170D-01  0.201213D+01  0.176989D+01 -0.343406D+01
      3   0.197909D+01  0.318941D+00  0.176989D+01  0.223757D+01 -0.168733D+01
               191           192           193           194           195 
      1  -0.343406D+01 -0.168733D+01 -0.221201D+01 -0.286768D+01 -0.748057D+00
      2  -0.462717D+01 -0.149325D+01 -0.286768D+01 -0.700435D+01 -0.200398D+01
      3  -0.149325D+01 -0.121720D+01 -0.748057D+00 -0.200398D+01 -0.164399D+01
               196           197           198           199           200 
      1  -0.114618D+01 -0.105699D+01 -0.105471D+01  0.352858D+01 -0.160228D+01
      2  -0.105699D+01 -0.231614D+01 -0.219451D+01 -0.160228D+01  0.185431D+01
      3  -0.105471D+01 -0.219451D+01 -0.145636D+01 -0.191793D+01  0.764036D+00
               201           202           203           204           205 
      1  -0.191793D+01 -0.804410D+00  0.948898D+00  0.369680D+00 -0.139097D+01
      2   0.764036D+00  0.948898D+00 -0.151371D+01 -0.118647D+01  0.429022D+00
      3   0.216169D+01  0.369680D+00 -0.118647D+01 -0.827214D+00  0.133958D+01
               206           207           208           209           210 
      1   0.429022D+00  0.133958D+01  0.369441D+00 -0.157220D+01  0.927671D+00
      2  -0.172546D+01 -0.119820D+01 -0.157220D+01  0.312990D+01 -0.109635D+01
      3  -0.119820D+01 -0.221901D+01  0.927671D+00 -0.109635D+01  0.507706D+00
               211           212           213           214           215 
      1  -0.111877D+01  0.102931D+01 -0.325376D+00  0.563445D+00 -0.371713D+00
      2   0.102931D+01 -0.103817D+02  0.275440D+01 -0.371713D+00  0.288426D+01
      3  -0.325376D+00  0.275440D+01 -0.197231D+01  0.145764D+00 -0.246677D+01
               216           217           218           219           220 
      1   0.145764D+00 -0.463825D+01 -0.842347D+00  0.217830D+01  0.245564D+00
      2  -0.246677D+01 -0.842347D+00 -0.117196D+01  0.316161D+00 -0.684645D+00
      3   0.148584D+01  0.217830D+01  0.316161D+00 -0.229748D+01 -0.660275D-01
               221           222           223           224           225 
      1  -0.684645D+00 -0.660275D-01  0.172062D+01  0.420881D+00 -0.169040D+01
      2  -0.345099D+00  0.906709D+00  0.420881D+00  0.137698D+01 -0.615621D+00
      3   0.906709D+00  0.468143D-01 -0.169040D+01 -0.615621D+00  0.221975D+01
               226           227           228           229           230 
      1   0.505569D+01 -0.159660D+01  0.731753D+00 -0.194941D+01  0.842003D+00
      2  -0.159660D+01  0.293993D+01 -0.109002D+01  0.842003D+00 -0.324845D+00
      3   0.731753D+00 -0.109002D+01  0.123765D+01 -0.125101D+00 -0.647795D+00
               231           232           233           234           235 
      1  -0.125101D+00  0.650580D-01  0.935492D-01  0.567267D+00  0.614922D+00
      2  -0.647795D+00  0.935492D-01 -0.190124D+01  0.505048D+00 -0.353817D+00
      3  -0.661085D-01  0.567267D+00  0.505048D+00  0.223252D+00  0.665567D+00
               236           237           238           239           240 
      1  -0.353817D+00  0.665567D+00 -0.464861D+00 -0.472963D+00  0.244690D+00
      2  -0.990392D+00  0.313363D+00 -0.472963D+00  0.150569D+01 -0.289146D+00
      3   0.313363D+00 -0.200488D+00  0.244690D+00 -0.289146D+00  0.737059D+00
               241           242           243           244           245 
      1   0.965462D+00 -0.337386D-01  0.896909D+00 -0.631202D+01 -0.364036D+00
      2  -0.337386D-01  0.180202D+01 -0.101444D+01 -0.364036D+00 -0.192739D+01
      3   0.896909D+00 -0.101444D+01  0.697081D+01 -0.955754D+00 -0.416893D+00
               246           247           248           249           250 
      1  -0.955754D+00  0.167180D+00  0.126550D+00  0.534540D+00  0.317686D+00
      2  -0.416893D+00  0.126550D+00  0.848408D+00  0.874861D+00  0.754758D+00
      3  -0.116648D+01  0.534540D+00  0.874861D+00  0.419031D+00 -0.306161D+00
               251           252           253           254           255 
      1   0.754758D+00 -0.306161D+00 -0.531586D+00  0.694051D+00 -0.319851D+00
      2   0.158326D+01  0.701570D+00  0.694051D+00  0.128357D+01  0.566468D+00
      3   0.701570D+00 -0.208560D+00 -0.319851D+00  0.566468D+00  0.458554D+00
               256           257           258           259           260 
      1   0.383625D+00  0.832781D+00  0.497718D+00 -0.111117D+01 -0.327763D+00
      2   0.832781D+00  0.429947D+00 -0.481346D-01 -0.327763D+00 -0.166403D+01
      3   0.497718D+00 -0.481346D-01  0.616496D+00 -0.122988D+01 -0.592997D+00
               261           262           263           264           265 
      1  -0.122988D+01 -0.366133D+01 -0.183252D+01  0.216322D+00 -0.345072D+01
      2  -0.592997D+00 -0.183252D+01 -0.226872D+01  0.421663D+00 -0.963724D+00
      3  -0.698142D+01  0.216322D+00  0.421663D+00 -0.674440D+00  0.135448D+01
               266           267           268           269           270 
      1  -0.963724D+00  0.135448D+01 -0.147255D+01  0.801080D+00  0.148014D+00
      2  -0.228798D+01 -0.129909D+00  0.801080D+00 -0.346944D+00 -0.738294D+00
      3  -0.129909D+00 -0.102246D+01  0.148014D+00 -0.738294D+00  0.224480D+00
               271           272           273           274           275 
      1   0.137902D+01 -0.979025D+00 -0.289556D+00 -0.460530D+00 -0.445322D+00
      2  -0.979025D+00 -0.270607D+00  0.302267D+00 -0.445322D+00  0.267681D+00
      3  -0.289556D+00  0.302267D+00  0.729309D+00  0.225872D+00  0.681520D+00
               276           277           278           279           280 
      1   0.225872D+00  0.160917D+01 -0.340162D+00 -0.131360D+01  0.189078D+01
      2   0.681520D+00 -0.340162D+00  0.114118D+01 -0.279253D+00  0.529409D+00
      3  -0.199303D+00 -0.131360D+01 -0.279253D+00  0.694952D+01  0.357864D+00
               281           282           283           284           285 
      1   0.529409D+00  0.357864D+00  0.208327D+01  0.163986D+01 -0.329752D+00
      2   0.311870D+01 -0.130179D+01  0.163986D+01  0.457870D+01 -0.450554D+00
      3  -0.130179D+01  0.948819D+00 -0.329752D+00 -0.450554D+00  0.810941D+00
               286           287           288           289           290 
      1   0.564603D+00 -0.941248D+00  0.765666D+00 -0.375362D+00  0.183692D+00
      2  -0.941248D+00  0.129763D+01 -0.734195D-01  0.183692D+00  0.699282D+00
      3   0.765666D+00 -0.734195D-01 -0.221050D+00 -0.593956D+00 -0.340798D+00
               291           292           293           294           295 
      1  -0.593956D+00 -0.547182D-01  0.119276D+01 -0.420016D+00 -0.124644D+01
      2  -0.340798D+00  0.119276D+01 -0.100174D+01  0.202768D+00  0.395028D+00
      3   0.307423D+00 -0.420016D+00  0.202768D+00 -0.694607D+00  0.109380D+00
               296           297           298           299           300 
      1   0.395028D+00  0.109380D+00 -0.105534D+01 -0.192369D+00 -0.849245D+00
      2  -0.151917D+01  0.134576D+01 -0.192369D+00 -0.102456D+01 -0.770887D+00
      3   0.134576D+01 -0.695179D+01 -0.849245D+00 -0.770887D+00 -0.563221D+00
               301           302           303           304           305 
      1   0.180929D+01 -0.222431D+00  0.197692D+00 -0.136355D+01 -0.888629D+00
      2  -0.222431D+00  0.626705D+01  0.925766D+00 -0.888629D+00 -0.521012D+00
      3   0.197692D+00  0.925766D+00  0.110539D+01 -0.718417D+00  0.220608D+00
               306           307           308           309           310 
      1  -0.718417D+00 -0.655751D-01 -0.678158D+00  0.205541D+00 -0.108914D+01
      2   0.220608D+00 -0.678158D+00 -0.633556D+00 -0.504822D+00 -0.998939D+00
      3   0.212736D+00  0.205541D+00 -0.504822D+00 -0.555134D+00 -0.581656D+00
               311           312           313           314           315 
      1  -0.998939D+00 -0.581656D+00  0.157670D+01  0.379453D+00  0.421150D+00
      2   0.240459D+00  0.185394D+00  0.379453D+00  0.120049D+01  0.128559D+01
      3   0.185394D+00 -0.536245D+00  0.421150D+00  0.128559D+01  0.697444D+01
               316           317           318           319           320 
      1   0.106426D+01 -0.124369D+01  0.443002D+00 -0.324680D+01  0.166005D+01
      2  -0.124369D+01  0.230352D+01  0.288312D+00  0.166005D+01 -0.431066D+01
      3   0.443002D+00  0.288312D+00  0.235999D+00  0.123448D+01 -0.537618D+00
               321           322           323           324           325 
      1   0.123448D+01  0.187881D+01  0.169060D+00 -0.416422D+00 -0.169003D+01
      2  -0.537618D+00  0.169060D+00 -0.580775D-01 -0.631487D+00  0.128250D+00
      3  -0.121419D+01 -0.416422D+00 -0.631487D+00 -0.229515D+00  0.341401D+00
               326           327           328           329           330 
      1   0.128250D+00  0.341401D+00  0.650738D+00  0.571707D+00 -0.178923D+00
      2   0.615844D+00 -0.110286D+00  0.571707D+00 -0.415505D+00 -0.725674D+00
      3  -0.110286D+00 -0.751506D+00 -0.178923D+00 -0.725674D+00  0.104547D+00
               331           332           333 
      1  -0.180019D+01 -0.726319D-01  0.112312D+01
      2  -0.726319D-01 -0.970600D+00 -0.756999D+00
      3   0.112312D+01 -0.756999D+00 -0.696133D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.106022D+02 -0.695531D+01  0.578755D+01 -0.540367D+01 -0.276151D+01
      2   0.131703D+00  0.289346D+01  0.294998D+01  0.165275D+01  0.254819D+01
      3  -0.968106D+01  0.325624D+01  0.858549D+01  0.619117D+01  0.937218D+01
                 6             7             8             9            10 
      1  -0.810555D+01  0.119826D+01 -0.281453D+01  0.208284D+01  0.422027D+01
      2   0.674319D+00  0.912869D-01  0.714853D-01 -0.134289D+01 -0.301880D+01
      3   0.984046D+00  0.962563D+01  0.254557D+01 -0.441041D+01  0.103275D+02
                11            12            13            14            15 
      1  -0.812642D+01 -0.689775D+01 -0.615592D+01  0.945702D+01 -0.563750D+01
      2   0.180088D+01  0.553968D+01  0.237060D+01  0.275186D+00  0.309285D+00
      3  -0.481060D+01 -0.756800D+01 -0.203013D+01 -0.989518D+01  0.450925D+01
                16            17            18            19            20 
      1  -0.218653D+01 -0.257594D+01 -0.256263D+01 -0.645022D+00 -0.230763D+01
      2   0.941354D+00  0.757145D+00 -0.433475D+00  0.223883D+02  0.162855D+02
      3  -0.786477D+01  0.646916D+01  0.457494D+01 -0.233165D+02 -0.192842D+02
                21            22            23            24            25 
      1   0.283165D+01 -0.651931D+01 -0.222217D+02 -0.189226D+01  0.129705D+02
      2   0.999163D+01  0.513020D+01 -0.240328D+01 -0.534597D+01 -0.123967D+02
      3  -0.971577D+01  0.520986D+01  0.230872D+02  0.775408D+01 -0.221714D+01
                26            27            28            29            30 
      1   0.206916D+02  0.200726D+02  0.225994D+01  0.348432D+01  0.673453D-01
      2  -0.167456D+02 -0.204100D+02  0.321043D+01 -0.198891D+01 -0.119874D+02
      3   0.520646D+01  0.172893D+01 -0.143619D+00  0.154795D+02 -0.253397D+00
                31            32            33            34            35 
      1   0.373977D+01 -0.253661D+01  0.121802D+02  0.874283D-01 -0.138024D+02
      2  -0.211507D+01 -0.355187D+01  0.735880D-01  0.139538D+02  0.109808D+00
      3  -0.152453D+02 -0.313589D+00 -0.134703D+00 -0.107685D+00  0.183702D+00
                36            37            38            39            40 
      1   0.554003D-01  0.492497D+01 -0.224450D+01  0.125275D+01 -0.186108D+01
      2  -0.210115D+00  0.100257D+02 -0.228429D+02  0.117644D+02 -0.109549D+02
      3  -0.119658D+00  0.115107D+02 -0.338266D+02  0.120121D+02 -0.936719D+01
                41            42            43            44            45 
      1   0.240120D+02 -0.130833D+00 -0.568645D+01  0.300929D+02 -0.262240D+02
      2  -0.759612D-01  0.115230D+01 -0.307122D+01  0.930888D+01 -0.110360D+02
      3  -0.110512D+02  0.325192D+01  0.405790D+01  0.366142D+01 -0.163368D+01
                46            47            48            49            50 
      1   0.198797D+01 -0.277095D+01  0.621899D+01 -0.133937D+02 -0.249457D+02
      2   0.211190D+02  0.868435D+01  0.296519D+01  0.316225D+01 -0.104273D+01
      3  -0.240896D+02 -0.111995D+02 -0.878763D+01  0.132052D+02  0.243893D+02
                51            52            53            54            55 
      1  -0.888455D+01  0.172204D+02  0.163044D+02  0.227329D+02  0.170885D+01
      2  -0.373223D+01 -0.168173D+02 -0.134961D+02 -0.171196D+02 -0.106635D+02
      3   0.870118D+01 -0.530430D+01  0.153711D+01 -0.172861D+01  0.863212D+01
                56            57            58            59            60 
      1  -0.345672D+01 -0.203478D+00 -0.312359D+01  0.277416D+01 -0.656547D+01
      2   0.487710D+01  0.463630D+01  0.669799D+01 -0.235426D+01  0.688592D+01
      3   0.461580D+01 -0.539882D+01  0.775180D+01 -0.904210D+01  0.718960D+01
                61            62            63            64            65 
      1  -0.871629D+00 -0.133725D+01  0.877871D-01 -0.200917D+01 -0.251252D+01
      2   0.187036D+01  0.222033D+01  0.253568D+01  0.942626D+00  0.392525D+01
      3  -0.719753D+01  0.713360D+01 -0.449486D+01 -0.791175D+01 -0.868617D+01
                66            67            68            69            70 
      1  -0.144673D+01 -0.390038D+01 -0.233214D+01 -0.236165D+01 -0.485611D+00
      2   0.872166D+01  0.525017D+01  0.121067D+02 -0.521690D+01  0.299628D+01
      3   0.781887D-01 -0.572036D+01  0.841265D+01 -0.889140D+01 -0.135811D+01
                71            72            73            74            75 
      1  -0.234690D-01  0.160711D+01 -0.113638D+01  0.116879D+02  0.245676D+00
      2  -0.793767D+00 -0.187363D+01 -0.244011D+02  0.850297D+00  0.231149D+00
      3  -0.100043D+02  0.441446D+01  0.532206D+01  0.115163D+02 -0.176532D+01
                76            77            78            79            80 
      1   0.232351D+02 -0.467488D+01 -0.114740D+02 -0.570334D+01  0.161573D+01
      2   0.281621D+01 -0.539671D+01 -0.280862D+01 -0.316841D+02  0.187119D+01
      3   0.356618D+02 -0.534402D+01 -0.121766D+02 -0.329507D+01 -0.449309D+01
                81            82            83            84            85 
      1   0.763228D+01  0.178421D+01  0.257564D+01 -0.676144D+01 -0.505989D+01
      2   0.275014D+02  0.141641D+02 -0.172859D+02  0.751528D+01 -0.805325D+01
      3   0.178104D+01  0.177498D+02 -0.288228D+02  0.115889D+02 -0.420897D+01
                86            87            88            89            90 
      1   0.272939D+02 -0.446853D+01 -0.129530D+02  0.274552D+02 -0.275883D+02
      2  -0.420338D+01  0.435306D+01 -0.587527D+01  0.926319D+01 -0.714644D+01
      3  -0.179886D+02  0.462336D+01  0.555856D+01 -0.607881D+00  0.165396D+01
                91            92            93            94            95 
      1  -0.914866D+01 -0.233770D+01 -0.145694D+01 -0.301297D+01 -0.202016D+00
      2  -0.111150D+02  0.133994D+01  0.237907D+01 -0.889795D+00  0.650236D+00
      3  -0.184189D+01  0.924829D+01  0.739031D+01  0.119062D+02  0.249287D+01
                96            97            98            99           100 
      1  -0.871102D+01  0.723383D+00 -0.243997D+01  0.831505D+00 -0.297140D+00
      2  -0.514047D+01  0.763450D+00 -0.207978D+01  0.223869D+01 -0.484102D+00
      3   0.441147D+01  0.923588D+01  0.347166D+01  0.445897D+01  0.469015D+00
               101           102           103           104           105 
      1  -0.911314D+00  0.423263D+01 -0.279709D+01  0.967571D+01 -0.206848D+01
      2   0.164562D+01  0.907977D+01  0.778013D+00  0.111596D+02  0.231175D+01
      3  -0.120975D+02 -0.340538D+01 -0.917013D+01 -0.805462D+00 -0.819434D+01
               106           107           108           109           110 
      1   0.165323D+01 -0.439224D+00 -0.206140D+01  0.411764D+01  0.964794D+01
      2   0.261256D+01 -0.432374D+00 -0.101908D+01 -0.264233D+02  0.286190D+01
      3  -0.226873D+01 -0.971201D+01 -0.431941D+01  0.128951D+02  0.825582D+01
               111           112           113           114           115 
      1  -0.371664D+01  0.196956D+02 -0.101670D+02 -0.886059D+01 -0.599718D+01
      2   0.297242D+01 -0.341765D+01 -0.319969D+01  0.632531D+01 -0.299465D+02
      3  -0.298780D+01  0.326581D+02 -0.128299D+02 -0.120174D+02  0.138439D+01
               116           117           118           119           120 
      1   0.337115D+01  0.341366D+01  0.180996D+01 -0.161344D+01 -0.204937D+01
      2   0.987044D+01  0.282976D+02  0.186449D+01  0.925095D+00  0.587895D+01
      3  -0.544932D+01 -0.181508D+01  0.816094D+01 -0.539992D+01 -0.326019D+01
               121           122           123           124           125 
      1  -0.289050D+00  0.109497D+01 -0.352244D+00 -0.142113D+01  0.140234D+01
      2  -0.287329D+01 -0.173486D+01  0.382015D+00  0.251293D+01 -0.171333D+00
      3  -0.227767D+01  0.177951D+01  0.237065D+01 -0.113775D+01  0.294104D+01
               126           127           128           129           130 
      1   0.742733D+00  0.544901D+00  0.104306D+01  0.731953D+00 -0.268529D+00
      2  -0.260199D+01 -0.474596D+01  0.167957D+01 -0.222537D+01  0.928633D+00
      3   0.113299D+01 -0.383130D+01  0.368863D+01 -0.210278D+01  0.245313D+01
               131           132           133           134           135 
      1  -0.312434D+01 -0.193240D+01 -0.124902D+00  0.106886D+01  0.920180D+00
      2  -0.681343D+01  0.754843D+01 -0.188412D+01  0.557481D+01 -0.644710D+01
      3  -0.153169D+02  0.721922D+01 -0.484589D+00  0.587063D+01 -0.582839D+01
               136           137           138           139           140 
      1   0.225591D+00  0.103258D+01 -0.153551D+01  0.234510D+01  0.215629D+01
      2   0.675789D+00  0.697808D+00  0.498743D+01 -0.306287D+01  0.104334D+01
      3  -0.204866D+01 -0.559579D+01 -0.114326D+01 -0.265823D+01 -0.805338D+01
               141           142           143           144           145 
      1  -0.121784D+01 -0.910598D+00  0.580926D+00 -0.959233D+00 -0.298285D+01
      2   0.322704D+01  0.156318D+01  0.244805D+01  0.239314D+01  0.308007D+01
      3  -0.395850D+01  0.963523D+00 -0.295762D+01 -0.106273D+01  0.515235D+01
               146           147           148           149           150 
      1   0.107200D+01 -0.128367D+01  0.252435D+01 -0.612078D+01  0.290156D+01
      2   0.374315D+00  0.256115D+01  0.495106D+00  0.443940D+01 -0.701976D+01
      3  -0.437435D+01  0.279301D+01 -0.550476D+01  0.139368D+02 -0.699404D+01
               151           152           153           154           155 
      1  -0.159855D+01  0.417364D+01 -0.320024D+01  0.132398D+01 -0.717054D+00
      2   0.118098D+01 -0.387117D+01  0.574093D+01  0.131125D+01 -0.110517D+01
      3   0.315889D+01 -0.505028D+01  0.585126D+01  0.813199D-01 -0.260247D+01
               156           157           158           159           160 
      1   0.219656D+01  0.211004D+01 -0.279549D+01 -0.346366D+01  0.115831D+01
      2   0.288915D+01  0.216247D+01  0.126392D+01 -0.384047D+01  0.638033D-01
      3  -0.242576D+00  0.719632D+00  0.997286D+01 -0.397916D+01 -0.199122D+01
               161           162           163           164           165 
      1  -0.985338D+00  0.183137D+01  0.544934D+01  0.153736D+01  0.392765D+01
      2  -0.268933D+01  0.186811D+01  0.934504D+00 -0.504002D+00  0.362090D+01
      3  -0.215247D+01  0.107006D+01 -0.983153D+01 -0.585437D+01 -0.510941D+01
               166           167           168           169           170 
      1   0.289520D+01  0.582482D+01  0.412407D+01  0.370754D+01  0.417047D+01
      2  -0.115264D+01  0.252910D+01  0.423368D+01  0.111896D+01  0.170530D+01
      3  -0.707731D+01 -0.921431D+01 -0.538505D+01 -0.469297D+01 -0.338436D+01
               171           172           173           174           175 
      1   0.515739D+01 -0.143464D+01 -0.193746D+01  0.362007D+01  0.798900D+00
      2   0.418186D+01  0.286389D+01 -0.186280D+01  0.419577D+01  0.136391D+01
      3  -0.576235D+01 -0.100807D+02 -0.201112D+01  0.390320D+01  0.957957D+00
               176           177           178           179           180 
      1  -0.132981D+01 -0.199320D+01  0.252126D+01  0.457873D+00 -0.167885D+01
      2  -0.166891D+01 -0.195939D+01  0.154285D+01 -0.961239D+00 -0.214942D+01
      3  -0.152605D+00  0.964758D+00  0.188586D+01  0.232252D+01 -0.112115D+01
               181           182           183           184           185 
      1  -0.212514D+01  0.134778D+01 -0.320268D+01  0.442916D+00 -0.299798D-01
      2  -0.580818D+01 -0.262135D+01 -0.401859D+01 -0.144874D+01 -0.610829D+01
      3   0.786292D+01  0.664538D+01  0.467581D+01  0.552251D+01  0.115051D+02
               186           187           188           189           190 
      1  -0.359674D+01 -0.992352D+00 -0.797338D+00 -0.342677D+01 -0.102617D+01
      2  -0.499180D+01 -0.377087D+01 -0.439306D+01 -0.563587D+01 -0.183733D+01
      3   0.582376D+01  0.271916D+01  0.510681D+01  0.574872D+01  0.673669D+01
               191           192           193           194           195 
      1   0.348160D+01 -0.261792D+01 -0.633150D+00 -0.507679D+00 -0.556102D+01
      2  -0.212591D+01  0.664529D+00 -0.128570D+01 -0.657401D+00  0.970843D+00
      3   0.307180D+01  0.370045D+01  0.617297D+01  0.321833D+01  0.158204D+01
               196           197           198           199           200 
      1  -0.201590D+01 -0.174902D+01 -0.246399D+01 -0.496723D+01 -0.390330D+00
      2  -0.988920D+00  0.561598D+00  0.656694D+00  0.582616D+01 -0.213478D+01
      3   0.296383D+01 -0.814873D+00  0.974184D+00 -0.148478D+02  0.414688D+01
               201           202           203           204           205 
      1   0.755055D+01 -0.373035D+00 -0.361147D+01 -0.162164D+01  0.451976D+01
      2  -0.201921D+01 -0.692030D+00  0.203494D+01  0.675583D+00 -0.376380D+01
      3   0.714718D+01  0.308315D+01 -0.400399D+01 -0.184255D+01  0.535655D+01
               206           207           208           209           210 
      1  -0.691028D+00 -0.607929D+01  0.154820D+01  0.321925D+01  0.356992D+00
      2   0.955516D+00  0.241783D+01 -0.117214D+01  0.803081D+00  0.141200D+00
      3  -0.245946D+01 -0.585253D+01 -0.296828D+01  0.303941D+01 -0.273580D+01
               211           212           213           214           215 
      1  -0.771748D+00 -0.134784D+01 -0.612063D+01  0.641019D+00 -0.262156D+01
      2   0.161280D+01 -0.174152D+01  0.130411D+01 -0.147304D+01  0.890940D+00
      3   0.615329D+01 -0.706904D+01  0.298977D+01 -0.298897D+01  0.721641D+00
               216           217           218           219           220 
      1   0.261653D+01  0.645856D+01 -0.648719D+00 -0.781528D+01 -0.126047D+01
      2  -0.372748D+00  0.404004D+01  0.660516D+00  0.100265D+01 -0.708456D+00
      3  -0.106058D+01  0.156566D+02 -0.831953D+00 -0.722107D+01 -0.199902D+01
               221           222           223           224           225 
      1   0.442905D+01  0.130474D+01 -0.556417D+01  0.113493D+01  0.650996D+01
      2  -0.452480D-01 -0.315424D+00 -0.179388D+01  0.164872D+00 -0.959393D-01
      3   0.304033D+01  0.115854D+01 -0.581602D+01 -0.203832D+00  0.578136D+01
               226           227           228           229           230 
      1  -0.654238D+00  0.402558D+01  0.643395D+00  0.578181D+00  0.118619D+01
      2  -0.904621D+01  0.424728D+01 -0.713395D+00  0.108879D+01  0.586204D+00
      3  -0.119849D+02  0.221830D+01 -0.242662D+01  0.222301D+01  0.140717D+00
               231           232           233           234           235 
      1  -0.203108D+01  0.219005D+01 -0.209255D+01  0.516077D+00  0.180219D+01
      2  -0.890532D+00  0.177828D+01 -0.271426D+01 -0.706521D-01  0.290821D+00
      3  -0.643926D+00  0.228141D+01 -0.131100D+01 -0.222604D+00 -0.154690D+00
               236           237           238           239           240 
      1   0.410065D+00 -0.912779D+00  0.166529D+01 -0.119443D+01  0.392760D+01
      2   0.303164D+00 -0.120177D+01  0.124684D-01 -0.277278D+01  0.215655D+01
      3  -0.799794D+00 -0.165748D+01  0.380324D+00 -0.183658D+01  0.131322D+00
               241           242           243           244           245 
      1   0.268505D+01  0.341685D+00  0.153702D+02 -0.173879D+01  0.248391D+01
      2  -0.145382D+01 -0.156200D+01  0.412518D+01 -0.952771D+01 -0.105176D+01
      3  -0.180009D+01 -0.168465D+01 -0.161412D+01  0.117300D+02 -0.275545D+01
               246           247           248           249           250 
      1  -0.137427D+01  0.492760D+00 -0.199666D+01 -0.112054D+01 -0.151936D+01
      2   0.280159D+00  0.320643D+01  0.203709D+01  0.164380D+01  0.359248D+01
      3   0.193845D+01 -0.277658D+01  0.554718D-01 -0.154302D+01 -0.271524D+01
               251           252           253           254           255 
      1  -0.374158D+00 -0.508484D+00 -0.689377D+00  0.498436D+00  0.142767D+01
      2   0.208941D+01  0.199451D+00 -0.365736D-01 -0.167788D+01 -0.265849D+01
      3  -0.291903D+00  0.177993D+00  0.267111D+00 -0.107418D+00  0.156894D+01
               256           257           258           259           260 
      1   0.181169D+01 -0.818029D+00  0.245573D+01 -0.245593D+01  0.205143D+01
      2  -0.188652D+01 -0.204868D+01 -0.270494D+01  0.197127D+00  0.129053D+01
      3   0.105227D+01  0.174106D+01 -0.502361D+00  0.103258D+01 -0.224067D+01
               261           262           263           264           265 
      1  -0.126630D+02 -0.288494D+01 -0.328917D+01  0.678217D+00 -0.432462D+01
      2   0.968667D+01  0.306431D+01  0.217643D+01  0.204581D+01  0.671645D+01
      3   0.164717D+01 -0.473553D+01 -0.633819D+01  0.622177D+00 -0.638051D+01
               266           267           268           269           270 
      1  -0.447988D+01  0.665472D+00 -0.133432D+01  0.244398D+00 -0.292604D+00
      2   0.599255D+00 -0.946387D+00  0.411590D+01  0.808690D+00 -0.424056D+00
      3  -0.689489D+01  0.242907D+01 -0.226244D+01 -0.131142D+01 -0.221782D+00
               271           272           273           274           275 
      1  -0.123199D+01  0.116866D+01  0.215986D+00  0.257813D+00 -0.126294D+01
      2   0.222231D+01 -0.809841D+00 -0.455506D+01 -0.172566D+01 -0.155290D+01
      3  -0.125756D+01  0.262883D+00  0.961931D+00  0.141602D+01 -0.747956D+00
               276           277           278           279           280 
      1   0.591369D+00 -0.152143D-01  0.301499D+01 -0.412456D+01  0.860070D-01
      2   0.103740D+01  0.125615D+01  0.115192D+01 -0.153650D+02  0.372343D+01
      3   0.139230D+01 -0.558745D+00  0.237575D+01 -0.162655D+01  0.552305D+01
               281           282           283           284           285 
      1  -0.674573D+01  0.121787D+01 -0.208848D+01 -0.470115D+01 -0.179791D+01
      2   0.349027D+01 -0.405815D+00  0.317505D+01  0.324190D+01 -0.966967D+00
      3   0.640336D+01 -0.232221D+01  0.649451D+01  0.631034D+01 -0.883786D+00
               286           287           288           289           290 
      1  -0.224339D+00 -0.436492D+01  0.419349D+00  0.929045D+00  0.220155D+01
      2  -0.438985D+00  0.753387D+00  0.327029D+00  0.154043D+01  0.676051D-01
      3   0.980679D+00  0.244167D+01  0.217977D+00  0.953159D+00 -0.145696D+01
               291           292           293           294           295 
      1  -0.156444D+01  0.141916D+01 -0.199002D+01  0.438230D+01 -0.591905D+00
      2  -0.774259D+00 -0.946428D+00  0.777512D+00  0.298128D+00 -0.311857D+01
      3  -0.124131D+01 -0.299159D+00  0.103370D+01 -0.112639D+01 -0.245397D+01
               296           297           298           299           300 
      1  -0.131192D+01  0.146916D+02 -0.184060D+01 -0.458974D+01 -0.171293D+01
      2  -0.550176D+00  0.610910D+01  0.216787D+01 -0.100385D+01  0.775001D+00
      3   0.240499D+00  0.163060D+01 -0.986163D+00  0.420545D+01  0.174655D+01
               301           302           303           304           305 
      1  -0.363084D-01  0.883544D+01 -0.622556D+00 -0.164321D+01 -0.396789D+01
      2  -0.245908D+01  0.253313D+01  0.140900D+01 -0.170834D-02  0.104898D+01
      3   0.419760D+01 -0.108409D+02 -0.174806D+01 -0.779896D-01  0.269670D+01
               306           307           308           309           310 
      1  -0.258431D+00  0.137485D+01  0.230204D+01  0.260745D+01  0.196468D+01
      2   0.469641D+00  0.131659D+01 -0.145349D+01 -0.196301D+01 -0.190970D+00
      3  -0.159532D+00 -0.157263D+01 -0.121263D+01  0.697874D+00 -0.822723D-01
               311           312           313           314           315 
      1   0.485202D+00  0.321701D+01 -0.942071D+00 -0.636303D+00 -0.112532D+02
      2   0.457926D+00 -0.134847D+01 -0.253136D+01  0.209240D+01  0.112892D+02
      3  -0.414141D+00 -0.152563D+01  0.238707D+01 -0.728267D+00 -0.163281D+01
               316           317           318           319           320 
      1   0.290910D+00 -0.221659D+01  0.508340D+00 -0.477590D+01  0.796101D+01
      2  -0.405124D+00 -0.976709D+00  0.217316D+01 -0.478684D+01  0.112169D+01
      3   0.532513D+00 -0.379456D+01  0.317837D+00 -0.364679D+01  0.110627D+02
               321           322           323           324           325 
      1   0.817219D+00  0.259186D+01 -0.115671D+01  0.120520D+00  0.256715D+01
      2  -0.253667D+00  0.271632D+01 -0.204770D+01 -0.523670D+00  0.177524D+01
      3   0.242349D+01  0.157865D+01 -0.207087D+01  0.213735D+00  0.175076D+01
               326           327           328           329           330 
      1   0.551643D+00 -0.176745D+01  0.784035D-01 -0.202709D-01  0.871854D+00
      2  -0.115760D+01 -0.428721D+01  0.296451D-01 -0.203344D+01  0.509895D+00
      3  -0.170015D+00 -0.371827D+00  0.989340D+00  0.229360D+00  0.163817D+01
               331           332           333 
      1   0.133999D+01  0.198735D+01 -0.207867D+01
      2   0.186721D+00 -0.246675D+01 -0.157615D+02
      3   0.142275D+01  0.200228D+01  0.162847D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.707110D+01 -0.139295D+02  0.801107D+01 -0.949919D+01  0.249673D+02
      2   0.113036D+02  0.244005D+02 -0.898197D+01  0.177751D+02 -0.367514D+02
      3  -0.423251D+01 -0.104711D+02  0.970904D+00 -0.827588D+01  0.117842D+02
      4  -0.107533D+02  0.584162D+01  0.128500D+02  0.599650D+01  0.136572D+02
      5   0.857666D+01  0.553223D+00 -0.792683D+01 -0.282073D+01 -0.293004D+01
      6   0.142851D+02 -0.943400D+01 -0.550595D+01 -0.442345D+01  0.235333D+02
                 6             7             8             9            10 
      1  -0.122153D+02  0.610010D+01 -0.994331D+01 -0.125591D+01  0.115074D+02
      2   0.225780D+02 -0.655157D+01  0.184202D+02 -0.227433D+01 -0.161602D+02
      3  -0.103627D+02  0.451476D+00 -0.847689D+01  0.353024D+01  0.465279D+01
      4  -0.788346D+00  0.108873D+02 -0.204760D+01 -0.455472D+01  0.233922D+01
      5  -0.512772D+00 -0.665298D+01  0.308167D+00  0.616000D+00 -0.659696D+00
      6  -0.647826D+01 -0.419791D+01 -0.727481D+01 -0.516705D+01 -0.218848D+02
                11            12            13            14            15 
      1   0.100106D+02 -0.101894D+01  0.756379D+01 -0.242826D+01  0.753705D+01
      2  -0.232266D+02 -0.361983D+01 -0.187391D+02  0.175662D+00 -0.167192D+02
      3   0.132160D+02  0.463877D+01  0.111753D+02  0.225260D+01  0.918218D+01
      4  -0.231703D+02 -0.187580D+02 -0.194255D+02 -0.192796D+02 -0.580667D+01
      5  -0.859269D+01 -0.560452D+01 -0.366310D+01 -0.856096D+01  0.277256D+00
      6  -0.731707D+01  0.541615D+01 -0.433565D+01 -0.150689D+02 -0.881930D+01
                16            17            18            19            20 
      1  -0.159854D+01  0.546834D+01  0.162148D+01 -0.160224D+02 -0.427627D+01
      2  -0.198907D+01 -0.132670D+02 -0.497050D+01  0.105036D+02  0.688043D+01
      3   0.358760D+01  0.779862D+01  0.334902D+01  0.551879D+01 -0.260416D+01
      4  -0.155557D+02 -0.574423D+01  0.317569D+01 -0.677610D+01  0.619550D+01
      5  -0.532096D+01 -0.871963D+00  0.264909D+01 -0.386724D+01  0.294596D+01
      6   0.369534D+01 -0.811351D+01  0.489456D+01  0.514815D+01  0.296754D+01
                21            22            23            24            25 
      1  -0.201716D+01 -0.820783D+01 -0.899900D+01 -0.994456D+01 -0.920582D+00
      2  -0.108158D+00  0.129379D+02  0.732610D+01  0.112477D+02  0.155926D+01
      3   0.212532D+01 -0.473006D+01  0.167290D+01 -0.130315D+01 -0.638679D+00
      4   0.264469D+01  0.866131D+01  0.893818D+01  0.533916D+01  0.814431D+00
      5   0.503736D+01  0.191755D+01  0.922989D+01  0.206154D+01  0.411911D+01
      6   0.218237D+01  0.436024D+01  0.793890D+01  0.796626D+01  0.725724D-01
                26            27            28            29            30 
      1  -0.561800D+01  0.351523D+01 -0.106332D+02 -0.113091D+00 -0.508570D+01
      2   0.517167D+01  0.109980D+02  0.420644D+01  0.908998D-01  0.507575D+01
      3   0.446327D+00 -0.145132D+02  0.642673D+01  0.221916D-01  0.995384D-02
      4   0.413836D+01  0.249190D+00 -0.114003D+00 -0.724790D+01  0.339279D+01
      5   0.712499D+00 -0.364522D+01 -0.309650D+01  0.208408D+01 -0.477371D+01
      6   0.639182D+01 -0.625404D+01  0.208907D+01  0.315629D+01 -0.549811D-02
                31            32            33            34            35 
      1  -0.973678D-01  0.405895D+01  0.339078D+01 -0.720925D+01  0.488394D+01
      2   0.711571D-01 -0.104412D+02 -0.336751D+01  0.721803D+01 -0.487467D+01
      3   0.262107D-01  0.638230D+01 -0.232647D-01 -0.878210D-02 -0.927214D-02
      4  -0.741396D+01 -0.621278D-01  0.514136D+01  0.484187D+01  0.728099D+01
      5   0.205169D+01  0.316648D+01 -0.347679D-01  0.206305D+01 -0.212674D-01
      6   0.314623D+01 -0.215326D+01 -0.473516D+01 -0.114997D-01  0.215702D+01
                36            37            38            39            40 
      1   0.730774D+00 -0.161949D+01  0.231247D+01  0.708712D+00  0.674541D+01
      2   0.789647D+00 -0.585859D+01 -0.251110D+01 -0.327800D+01 -0.893468D+01
      3  -0.152042D+01  0.747808D+01  0.198632D+00  0.256929D+01  0.218927D+01
      4  -0.252381D-01  0.116290D+02 -0.456020D+01 -0.255649D+01 -0.652300D+01
      5   0.393611D-01 -0.453453D+01  0.253364D+01  0.391739D+01  0.405594D+01
      6  -0.268989D-01 -0.133727D+01 -0.164209D+00 -0.573591D+00  0.808043D+00
                41            42            43            44            45 
      1  -0.184780D+02  0.111710D+02  0.153803D+01  0.685330D+01  0.445277D+01
      2   0.187433D+02 -0.116418D+02 -0.820164D+00 -0.673626D+01  0.995678D+01
      3  -0.265298D+00  0.470822D+00 -0.717871D+00 -0.117042D+00 -0.144095D+02
      4   0.198075D+01 -0.299790D+01 -0.763059D-02 -0.100779D+01  0.248333D+01
      5   0.441003D+01 -0.401739D+00  0.407695D+01  0.232140D+00 -0.100976D+01
      6  -0.128454D+02  0.894753D+01  0.818880D+00  0.618994D+01  0.716340D+01
                46            47            48            49            50 
      1   0.297775D+01  0.925353D+01  0.956845D+01  0.392488D+01  0.136961D+02
      2  -0.559258D+01 -0.415111D+01 -0.800466D+01 -0.971552D+00 -0.182017D+02
      3   0.261482D+01 -0.510242D+01 -0.156380D+01 -0.295333D+01  0.450562D+01
      4   0.810393D+01  0.126538D+02  0.751572D+01  0.893627D+01 -0.539789D+00
      5   0.578238D+01  0.415307D+01  0.738244D+01  0.259884D+01  0.645351D+01
      6   0.927168D+01  0.408097D+01  0.238798D+01  0.491030D+01 -0.224683D+01
                51            52            53            54            55 
      1   0.441132D+00  0.380455D+01  0.185307D+01  0.107375D+02  0.766994D+01
      2  -0.239970D+01 -0.428583D+01 -0.133409D+01  0.369285D+01 -0.740066D+01
      3   0.195857D+01  0.481275D+00 -0.518973D+00 -0.144304D+02 -0.269281D+00
      4   0.379968D+01  0.522280D+01  0.178256D+01  0.116479D+01 -0.122343D+02
      5   0.243828D+01  0.621847D+01  0.335939D+00 -0.564068D+01 -0.127837D+02
      6   0.560717D+01  0.951452D+00  0.422689D+01 -0.439919D+01 -0.860261D+01
                56            57            58            59            60 
      1  -0.102239D+02 -0.147200D+02 -0.132957D+02 -0.201234D+02 -0.664082D+00
      2  -0.443651D+00  0.624298D+01  0.679840D+00  0.121233D+02 -0.530520D+01
      3   0.106675D+02  0.847702D+01  0.126159D+02  0.800010D+01  0.596928D+01
      4  -0.239483D+02 -0.635266D+01 -0.286115D+02 -0.819051D+01 -0.199736D+02
      5  -0.278491D+01 -0.951985D+01 -0.502437D+01 -0.233337D+02  0.507124D+01
      6  -0.498601D+01 -0.291169D+00 -0.103908D+02 -0.556700D+01 -0.507049D+01
                61            62            63            64            65 
      1  -0.112840D+02  0.548915D+00 -0.573642D+01 -0.432711D+02  0.818009D+01
      2   0.415486D+01 -0.514752D+01  0.232646D+01  0.293115D+02 -0.224657D+01
      3   0.712917D+01  0.459860D+01  0.340995D+01  0.139596D+02 -0.593352D+01
      4  -0.594349D+01 -0.161648D+02  0.204944D+01  0.235882D+01  0.108664D+02
      5  -0.849659D+01  0.313464D+01  0.433264D+01  0.250985D+02 -0.242793D+01
      6  -0.139211D+01 -0.510244D+01  0.318373D+01  0.770747D+00 -0.477584D+01
                66            67            68            69            70 
      1   0.233924D+02  0.151004D+02  0.182273D+02 -0.951311D+01  0.194430D+02
      2  -0.130902D+02 -0.685722D+01 -0.117315D+02  0.978459D+01 -0.110285D+02
      3  -0.103023D+02 -0.824314D+01 -0.649573D+01 -0.271479D+00 -0.841451D+01
      4   0.232581D+01  0.121451D+02 -0.541029D+01  0.108146D+02  0.473778D+00
      5  -0.562188D+01 -0.816741D+01  0.117188D+02 -0.526541D+01 -0.670965D+01
      6  -0.209361D+00 -0.205752D+01  0.100009D+02 -0.892764D+01  0.321091D+00
                71            72            73            74            75 
      1  -0.679124D+01 -0.103210D+01  0.182676D+02 -0.333382D+01 -0.100776D+02
      2   0.745197D+01 -0.248856D+01 -0.178033D+02  0.221725D+01  0.990479D+01
      3  -0.660728D+00  0.352065D+01 -0.464333D+00  0.111657D+01  0.172840D+00
      4   0.910751D+01 -0.451550D+01  0.878123D+01 -0.855612D+01 -0.548910D+01
      5  -0.417399D+01 -0.517897D+01 -0.130566D+02 -0.140926D+01  0.900715D+01
      6  -0.723532D+01 -0.519042D-01  0.165234D+01  0.495495D+01  0.307730D+00
                76            77            78            79            80 
      1   0.225065D+01 -0.936377D+01 -0.386410D+01 -0.617551D+01 -0.164997D+01
      2  -0.141297D+01  0.178329D+01  0.126968D+01  0.617301D+01  0.236948D+01
      3  -0.837686D+00  0.758048D+01  0.259442D+01  0.249975D-02 -0.719514D+00
      4  -0.524097D+01  0.883566D+01 -0.371098D+01 -0.274109D+01 -0.597151D+00
      5  -0.205522D+01 -0.999412D+00  0.111178D+00  0.608391D+01  0.115633D+01
      6   0.328726D+01 -0.363566D+01  0.390813D+01  0.535522D+00  0.424896D+01
                81            82            83            84            85 
      1   0.925794D+01 -0.431393D+00  0.562433D+01  0.255521D+01  0.698654D+01
      2   0.516695D+01 -0.523385D+01 -0.101321D+02 -0.383199D+00 -0.947265D+01
      3  -0.144249D+02  0.566524D+01  0.450773D+01 -0.217202D+01  0.248611D+01
      4   0.317181D+01 -0.130237D+01  0.969880D+01 -0.912097D+01  0.417762D+01
      5   0.721140D+01  0.156619D+01 -0.905438D-01  0.536775D+01  0.156085D+01
      6  -0.968225D-01 -0.534848D+01  0.735117D+01 -0.229674D+01  0.751461D+01
                86            87            88            89            90 
      1   0.575029D+01  0.175123D+01 -0.117763D+01  0.306499D+00  0.888889D+01
      2  -0.713861D+01 -0.717909D+00  0.495248D+00 -0.720075D+00  0.551293D+01
      3   0.138833D+01 -0.103332D+01  0.682380D+00  0.413576D+00 -0.144018D+02
      4  -0.180666D+02  0.775417D+01 -0.507555D+01  0.483410D+01 -0.335874D+01
      5   0.704741D+01 -0.233088D+01  0.542241D+01 -0.888059D+00 -0.347511D+01
      6  -0.577718D+01  0.751637D+01 -0.155085D+01  0.498667D+01  0.628020D+01
                91            92            93            94            95 
      1   0.452326D+01 -0.141718D+02 -0.113330D+02 -0.142837D+02 -0.495076D+00
      2   0.287358D+01  0.183201D+02  0.557608D+01  0.206022D+02 -0.141852D+02
      3  -0.739684D+01 -0.414824D+01  0.575689D+01 -0.631855D+01  0.146803D+02
      4  -0.108993D+02 -0.857939D+01  0.658491D+01 -0.137133D+02  0.306137D+02
      5  -0.973887D+01 -0.304338D+01 -0.106082D+02 -0.285153D+01 -0.182151D+02
      6   0.695159D+01 -0.302639D+01  0.277002D+01 -0.863881D+01  0.195402D+02
                96            97            98            99           100 
      1  -0.860101D+01 -0.868248D+01 -0.804059D+01 -0.593596D+01 -0.277567D+02
      2   0.174122D+02  0.364558D+01  0.150925D+02  0.253178D+01  0.118814D+02
      3  -0.881119D+01  0.503691D+01 -0.705192D+01  0.340418D+01  0.158752D+02
      4  -0.161350D+02  0.573092D+01 -0.126110D+02  0.156328D+01  0.289419D+02
      5  -0.249885D+01 -0.866636D+01 -0.142491D+01  0.250720D+01  0.231590D+02
      6  -0.404093D+01  0.303506D+01 -0.502982D+01 -0.437639D+01 -0.143773D+02
               101           102           103           104           105 
      1   0.193701D+02  0.205806D+02  0.152641D+02  0.107596D+02  0.660998D+01
      2  -0.161774D+02 -0.110797D+02 -0.143478D+02 -0.222223D+01 -0.110933D+02
      3  -0.319276D+01 -0.950086D+01 -0.916295D+00 -0.853733D+01  0.448327D+01
      4  -0.330748D+01 -0.132348D+02  0.142586D+01 -0.119992D+02  0.679345D+01
      5  -0.629284D+01 -0.422502D+01 -0.338849D+00  0.710223D+01  0.349049D+01
      6  -0.479216D+01 -0.166865D+01 -0.435494D+01 -0.971789D+01 -0.104805D+02
               106           107           108           109           110 
      1   0.175420D+02  0.431073D+01  0.184940D+01  0.726956D+00 -0.955253D+01
      2  -0.994671D+01 -0.838665D+01 -0.530322D+01 -0.134956D+01  0.783575D+01
      3  -0.759528D+01  0.407592D+01  0.345382D+01  0.622601D+00  0.171678D+01
      4  -0.996709D+01  0.593194D+01  0.271169D+01 -0.201205D+02 -0.673810D+00
      5  -0.542203D+01  0.351302D+01 -0.455096D+01 -0.863633D+01  0.694651D+01
      6  -0.855252D+00 -0.848596D+01  0.191723D+01  0.568601D+01  0.326231D+01
               111           112           113           114           115 
      1  -0.290394D+01 -0.116669D+02 -0.779569D+01  0.172649D+01 -0.199130D+01
      2   0.372083D+01  0.782062D+01  0.125723D+01  0.684801D+00  0.179764D+01
      3  -0.816883D+00  0.384630D+01  0.653846D+01 -0.241129D+01  0.193659D+00
      4   0.839979D+01  0.478033D+01 -0.101439D+01 -0.814992D+01  0.496695D+01
      5   0.813635D+01  0.685578D+01 -0.359012D+01 -0.184871D+01  0.523097D+01
      6  -0.200465D+01  0.154141D+01  0.138944D+01  0.478370D+01 -0.885026D+00
               116           117           118           119           120 
      1   0.148207D+01  0.639354D+01  0.786822D+02 -0.160401D+01 -0.198264D+02
      2  -0.219676D+01  0.793645D+01 -0.451854D+02  0.194156D+01  0.136395D+02
      3   0.714686D+00 -0.143300D+02 -0.334968D+02 -0.337551D+00  0.618689D+01
      4  -0.402503D+01 -0.362092D+01  0.867793D+01  0.811235D+01 -0.184431D+01
      5  -0.151512D+01  0.666938D+01 -0.313791D+02  0.755344D+00  0.182408D+02
      6   0.509603D+01 -0.269880D+01 -0.315481D+01 -0.167079D+01  0.277497D+01
               121           122           123           124           125 
      1  -0.136251D+02  0.723654D+01  0.511330D+01 -0.166466D+02  0.148041D+01
      2   0.948662D+01 -0.387620D+01 -0.477116D+01  0.135173D+02 -0.200712D+01
      3   0.413845D+01 -0.336034D+01 -0.342136D+00  0.312927D+01  0.526711D+00
      4   0.961308D+01 -0.880664D+00 -0.458918D+01 -0.197548D+01 -0.350940D+01
      5   0.636437D+01 -0.590997D+01 -0.294499D+01  0.217751D+02  0.160475D-01
      6  -0.245618D+01 -0.977721D+00  0.284440D+01  0.285557D+01  0.282007D+01
               126           127           128           129           130 
      1   0.128816D+02  0.265696D+00  0.574600D+01 -0.728008D+01  0.443631D+01
      2  -0.107443D+02  0.810468D+00 -0.402006D+01  0.367463D+01 -0.139154D+01
      3  -0.213727D+01 -0.107616D+01 -0.172594D+01  0.360545D+01 -0.304477D+01
      4   0.193211D+01  0.190851D+01  0.907412D-01 -0.115582D+01  0.696217D+01
      5  -0.132133D+02 -0.454195D+01 -0.769247D+00  0.621783D+00 -0.303854D+01
      6  -0.152893D+01 -0.355270D+01  0.282953D+01 -0.199343D+01 -0.189537D+01
               131           132           133           134           135 
      1  -0.137073D+02  0.790485D+01 -0.600921D+01  0.559870D+01 -0.705417D+01
      2   0.186417D+02 -0.648500D+01  0.328108D+01 -0.336953D+01  0.214805D+01
      3  -0.493440D+01 -0.141985D+01  0.272812D+01 -0.222918D+01  0.490612D+01
      4   0.228778D+02 -0.104641D+02 -0.420839D+01 -0.878515D+01  0.819714D+01
      5  -0.105084D+02  0.117839D+02  0.474689D+01  0.876415D+01 -0.106298D+02
      6  -0.171640D+02  0.128264D+02  0.136008D+01  0.114478D+02 -0.112568D+02
               136           137           138           139           140 
      1   0.329672D+02  0.159523D+02  0.933315D+01  0.186137D+02  0.108911D+02
      2  -0.121244D+02 -0.295408D+01 -0.448306D+01 -0.145264D+01  0.552530D+01
      3  -0.208428D+02 -0.129982D+02 -0.485009D+01 -0.171611D+02 -0.164164D+02
      4   0.304958D+02  0.227891D+02  0.910310D+01  0.321786D+02  0.334902D+02
      5   0.177214D+02  0.910538D+01  0.125787D+02  0.126594D+02  0.148003D+02
      6   0.804443D+01  0.575714D+01  0.469783D+01  0.962773D+01  0.116901D+02
               141           142           143           144           145 
      1   0.315107D+01  0.790130D+01  0.197408D+01  0.595440D+01  0.145648D+02
      2   0.875089D+00 -0.502484D+01 -0.494107D+00 -0.383178D+01 -0.974180D+01
      3  -0.402616D+01 -0.287646D+01 -0.147997D+01 -0.212263D+01 -0.482300D+01
      4   0.143011D+02  0.958392D+01  0.105140D+02  0.108015D+02 -0.575692D+01
      5   0.102861D+02  0.160549D+02  0.101027D+02  0.111878D+02  0.118564D+02
      6   0.865202D+01  0.730299D+01  0.838102D+01  0.673425D+01 -0.121651D+01
               146           147           148           149           150 
      1  -0.683990D+01  0.808834D+01 -0.136436D+02  0.842449D+01 -0.351317D+01
      2   0.502394D+01 -0.605634D+01  0.105393D+02 -0.712265D+01  0.679369D+01
      3   0.181596D+01 -0.203200D+01  0.310424D+01 -0.130183D+01 -0.328052D+01
      4   0.765916D+01 -0.192469D+01  0.112860D+02 -0.164959D+02  0.107141D+02
      5  -0.430649D+01  0.982878D+01 -0.917292D+01  0.128332D+02 -0.142010D+02
      6   0.200816D+01 -0.299763D+00  0.430138D+01 -0.599320D+01  0.356612D+01
               151           152           153           154           155 
      1   0.901286D+01 -0.837358D+00  0.427204D+01  0.560786D+01 -0.469704D+01
      2  -0.821405D+01  0.429367D+01 -0.916931D+01  0.372104D+01 -0.532138D+01
      3  -0.798805D+00 -0.345631D+01  0.489727D+01 -0.932890D+01  0.100184D+02
      4  -0.125354D+01  0.742457D+01 -0.653041D+01 -0.168581D+02  0.191627D+02
      5   0.121128D+02 -0.822175D+01  0.153441D+02  0.763524D+01 -0.571776D+01
      6  -0.806672D+00  0.412549D+01 -0.242159D+01 -0.651028D+01  0.495236D+01
               156           157           158           159           160 
      1   0.341285D+01 -0.969393D+00 -0.141710D+02  0.623065D+01  0.151753D+01
      2  -0.385846D+00 -0.132240D+02  0.416197D+02 -0.117240D+02  0.703577D+00
      3  -0.302701D+01  0.141934D+02 -0.274487D+02  0.549337D+01 -0.222111D+01
      4  -0.644171D+01  0.261829D+02 -0.454931D+02  0.142821D+02 -0.759208D+01
      5   0.686408D+01 -0.738212D+01  0.146386D+02 -0.946480D+01  0.891685D+01
      6  -0.411362D+01  0.958764D+01 -0.237693D+02  0.144012D+02 -0.763735D+01
               161           162           163           164           165 
      1   0.543132D+01 -0.309416D+01  0.257256D+02  0.709678D+01  0.105044D+02
      2  -0.792946D+01  0.526493D+01 -0.196072D+02 -0.715869D+01 -0.974323D+01
      3   0.249814D+01 -0.217077D+01 -0.611839D+01  0.619110D-01 -0.761186D+00
      4   0.122006D+02 -0.112726D+02 -0.291263D+01  0.476422D+01 -0.207562D+01
      5  -0.104704D+02  0.790633D+01  0.172272D+02  0.329588D+01  0.139261D+02
      6   0.157390D+02 -0.106374D+02 -0.266823D+01  0.156942D+01 -0.400931D+01
               166           167           168           169           170 
      1   0.145224D+02  0.739983D+01  0.577346D+01  0.884678D+01  0.190293D+01
      2  -0.134376D+02 -0.744893D+01 -0.968788D+01 -0.933700D+01 -0.542192D+01
      3  -0.108478D+01  0.490944D-01  0.391442D+01  0.490218D+00  0.351899D+01
      4   0.327104D+01  0.446455D+01  0.517931D+01 -0.363529D+01  0.517153D+01
      5   0.849439D+01  0.859720D+01  0.958465D+01  0.140699D+02  0.401326D+01
      6   0.193145D+01 -0.180211D+00 -0.505408D+00 -0.334639D+01  0.202505D+01
               171           172           173           174           175 
      1   0.681441D+01  0.562784D+02 -0.137636D+02 -0.152704D+02 -0.350998D+01
      2  -0.118042D+02 -0.256327D+02  0.221804D+01  0.936800D+01 -0.359032D+01
      3   0.498981D+01 -0.306457D+02  0.115456D+02  0.590242D+01  0.710030D+01
      4  -0.100559D+00 -0.422284D+02  0.205004D+02  0.123169D+02  0.149117D+02
      5   0.151909D+02 -0.275095D+02  0.795300D+01  0.160526D+02  0.278846D+01
      6  -0.371494D+01  0.128503D+02 -0.531374D+01 -0.823335D+01 -0.414825D+01
               176           177           178           179           180 
      1   0.511449D+01 -0.882714D+00 -0.112414D+02  0.124355D+01  0.815407D+01
      2   0.137130D+01  0.311551D+01  0.842191D+01  0.661310D+00 -0.596499D+01
      3  -0.648579D+01 -0.223279D+01  0.281948D+01 -0.190486D+01 -0.218908D+01
      4  -0.113616D+02 -0.512890D+01  0.110005D+02 -0.612978D+01 -0.983525D+01
      5  -0.579725D+01 -0.273917D+01  0.180747D+02 -0.643416D+01 -0.117056D+02
      6   0.537643D+01  0.517018D+01 -0.933426D+01  0.669529D+01  0.651341D+01
               181           182           183           184           185 
      1  -0.560546D+01 -0.121325D+02 -0.955457D+01 -0.659284D+01 -0.207186D+02
      2   0.542769D+01  0.125228D+02  0.555672D+01  0.573343D+01  0.267531D+02
      3   0.177770D+00 -0.390344D+00  0.399785D+01  0.859407D+00 -0.603448D+01
      4   0.223103D+01  0.714907D+00  0.359421D+01  0.405052D+01 -0.801666D+01
      5  -0.149739D+01  0.116820D+01 -0.940198D+00  0.147551D+01 -0.455825D+01
      6   0.703038D+01  0.745790D+01  0.760005D+01  0.229440D+01  0.180449D+02
               186           187           188           189           190 
      1  -0.102500D+02 -0.548167D+01 -0.889379D+01 -0.113885D+02 -0.957488D+00
      2   0.104556D+02  0.208319D+01  0.795867D+01  0.648465D+01  0.133650D+02
      3  -0.205562D+00  0.339848D+01  0.935120D+00  0.490388D+01 -0.124075D+02
      4  -0.413137D+01  0.474879D+01 -0.530738D+01 -0.260291D+01  0.249508D+02
      5  -0.601462D+01  0.219929D+01 -0.497391D+01 -0.567287D+01  0.785753D+01
      6   0.144471D+02  0.236612D+01  0.140153D+02  0.145586D+02  0.129610D+02
               191           192           193           194           195 
      1  -0.706145D+01 -0.184701D+01 -0.599373D+01 -0.210458D+02 -0.694415D+01
      2   0.230213D+02  0.506889D+01  0.176710D+02  0.452560D+02  0.122138D+02
      3  -0.159598D+02 -0.322187D+01 -0.116772D+02 -0.242102D+02 -0.526969D+01
      4   0.283166D+02  0.122543D+02  0.194284D+02  0.293688D+02  0.853051D+01
      5   0.803729D+01  0.670070D+01  0.471756D+01  0.720442D+01  0.387385D+01
      6   0.128127D+02  0.937814D+01  0.883399D+01  0.214716D+02  0.144896D+02
               196           197           198           199           200 
      1  -0.217559D+01 -0.781396D+01 -0.648590D+01 -0.396309D+01  0.761826D+01
      2   0.319964D+01  0.109212D+02  0.853693D+01  0.594185D+01 -0.111394D+02
      3  -0.102405D+01 -0.310727D+01 -0.205102D+01 -0.197875D+01  0.352117D+01
      4   0.860762D+01  0.866701D+01  0.898104D+01 -0.204998D+02  0.122990D+02
      5   0.619178D+01  0.590786D+01  0.514943D+01 -0.848524D+01  0.463997D+01
      6   0.863101D+01  0.181492D+02  0.119167D+02  0.133050D+02 -0.812901D+01
               201           202           203           204           205 
      1   0.441397D+01  0.326582D+01 -0.640618D+01 -0.483451D+01  0.325844D+01
      2  -0.143942D+01 -0.542968D+01  0.103818D+02  0.736054D+01  0.630617D-01
      3  -0.297455D+01  0.216386D+01 -0.397561D+01 -0.252604D+01 -0.332150D+01
      4   0.118023D+02  0.738300D+01 -0.578757D+01 -0.212578D+01  0.816161D+01
      5   0.547035D+01  0.175670D+01 -0.175825D+01 -0.848994D+00  0.541703D+01
      6  -0.145494D+02 -0.369101D+01  0.100474D+02  0.782522D+01 -0.910965D+01
               206           207           208           209           210 
      1  -0.726526D+01 -0.722041D+01 -0.502675D+01  0.116454D+02 -0.504609D+01
      2   0.856058D+01  0.229569D+01  0.943297D+01 -0.194108D+02  0.613019D+01
      3  -0.129532D+01  0.492471D+01 -0.440622D+01  0.776538D+01 -0.108410D+01
      4  -0.239258D+01 -0.805538D+01 -0.508475D+01  0.126164D+02 -0.592765D+01
      5  -0.172119D+01 -0.440814D+01  0.506926D+00 -0.334128D+01  0.311280D+01
      6   0.107813D+02  0.148261D+02 -0.721094D+01  0.892881D+01 -0.481932D+01
               211           212           213           214           215 
      1   0.512978D+01 -0.438998D+02  0.130557D+02 -0.275701D+01  0.132660D+02
      2  -0.862604D+01  0.764668D+02 -0.191919D+02  0.263491D+01 -0.164622D+02
      3   0.349626D+01 -0.325670D+02  0.613622D+01  0.122103D+00  0.319617D+01
      4   0.865466D+01 -0.488617D+01  0.182460D+01 -0.399789D+01  0.144747D+01
      5  -0.183339D+01  0.280156D+00  0.760543D+00  0.275719D+01  0.373523D+00
      6   0.378982D+01 -0.303750D+02  0.179958D+02 -0.238965D+01  0.218398D+02
               216           217           218           219           220 
      1  -0.108152D+02  0.126323D+02 -0.137057D+01 -0.380179D+01 -0.219350D+01
      2   0.129878D+02 -0.833120D+01  0.476558D+01  0.565258D+01  0.436578D+01
      3  -0.217261D+01 -0.430109D+01 -0.339501D+01 -0.185079D+01 -0.217228D+01
      4  -0.111845D+01  0.249220D+02  0.907314D+01 -0.116640D+02  0.195797D+01
      5   0.190625D+00 -0.153247D+02 -0.317511D+01  0.111373D+02  0.118025D+01
      6  -0.132396D+02 -0.118061D+02 -0.420783D+01  0.130261D+02 -0.134245D+01
               221           222           223           224           225 
      1  -0.638758D+00  0.339108D+01 -0.143597D+01  0.418576D+01 -0.230575D+00
      2   0.244940D+01 -0.688266D+01  0.400787D+01 -0.663777D+01 -0.464502D+01
      3  -0.181065D+01  0.349158D+01 -0.257190D+01  0.245201D+01  0.487560D+01
      4   0.309101D+01 -0.131132D+01 -0.906746D+01 -0.410657D+01  0.906300D+01
      5  -0.299699D+01 -0.566442D+00  0.992981D+01  0.205010D+01 -0.972741D+01
      6  -0.588172D+01  0.218580D+01  0.940732D+01  0.629268D+01 -0.120769D+02
               226           227           228           229           230 
      1   0.120490D+02  0.175800D+01 -0.144541D+01 -0.252967D+01  0.210910D+01
      2  -0.399776D+01 -0.697370D+01  0.276189D+00 -0.113272D+01  0.264692D+01
      3  -0.805122D+01  0.521570D+01  0.116922D+01  0.366239D+01 -0.475602D+01
      4  -0.224531D+02  0.958745D+01 -0.370956D+01  0.881813D+01 -0.666373D+01
      5   0.105518D+02 -0.425362D+01  0.423253D+01 -0.242630D+01  0.871886D+00
      6  -0.362586D+01  0.610174D+01 -0.520285D+01  0.122302D+01  0.355377D+00
               231           232           233           234           235 
      1  -0.141256D+01 -0.777370D+00 -0.375546D+01  0.141626D+01 -0.520230D+00
      2   0.149232D+01 -0.173475D+01  0.619459D+01 -0.334714D+01 -0.213924D+01
      3  -0.797601D-01  0.251212D+01 -0.243913D+01  0.193088D+01  0.265947D+01
      4   0.113623D+01  0.188121D+01 -0.269807D+00 -0.302817D+01 -0.113316D+01
      5  -0.123005D+01  0.211549D+01 -0.438687D+00  0.176314D+01  0.156966D+01
      6   0.877588D+00 -0.248991D+01 -0.998435D+00 -0.282646D+00 -0.237229D+01
               236           237           238           239           240 
      1  -0.297182D+01  0.191327D+01 -0.170363D+01  0.154594D+01 -0.181834D+01
      2   0.306958D+01 -0.767113D+00  0.110881D+01 -0.416715D+01 -0.272453D+01
      3  -0.977680D-01 -0.114616D+01  0.594815D+00  0.262121D+01  0.454287D+01
      4   0.239497D+01 -0.293728D+01  0.349952D+00  0.466932D-01  0.274306D-01
      5  -0.906415D+00  0.483066D+01 -0.256375D+00 -0.126467D+01  0.116859D+01
      6  -0.129585D+01  0.109910D+01 -0.994145D+00  0.107910D+01  0.797163D+00
               241           242           243           244           245 
      1  -0.807374D+00  0.568316D+01 -0.161616D+02  0.281089D+02 -0.245309D+01
      2  -0.300500D+01 -0.372973D+01 -0.184427D+02 -0.174225D+02  0.525028D+01
      3   0.381237D+01 -0.195343D+01  0.346042D+02 -0.106864D+02 -0.279720D+01
      4  -0.372976D+01  0.374682D+00 -0.319454D+01  0.150271D+02  0.561733D+01
      5   0.439182D+01 -0.828218D+00  0.547604D+01  0.127611D+02  0.125686D+01
      6  -0.311648D+01  0.712508D+01 -0.220450D+02  0.816678D+00  0.334863D+01
               246           247           248           249           250 
      1   0.204196D+01 -0.477289D+00  0.439395D+01  0.109849D+01 -0.136077D+01
      2  -0.314812D+01  0.155499D+01 -0.232897D+01 -0.723705D+00 -0.186145D+01
      3   0.110616D+01 -0.107770D+01 -0.206497D+01 -0.374780D+00  0.322222D+01
      4   0.290097D+01  0.142916D+01  0.184832D+00 -0.146209D+01 -0.297925D+01
      5   0.599983D+01 -0.233526D+01 -0.985747D+00 -0.913814D+00  0.256698D+01
      6   0.307694D+01 -0.396655D+00 -0.214373D+01 -0.929301D+00  0.948703D+00
               251           252           253           254           255 
      1   0.286079D+01  0.280786D+01  0.206607D+01  0.324127D+01  0.401820D+01
      2  -0.411374D+01 -0.478015D+01 -0.450748D+01 -0.344546D+01 -0.127712D+01
      3   0.125295D+01  0.197229D+01  0.244142D+01  0.204196D+00 -0.274108D+01
      4  -0.289139D+01  0.394968D+00 -0.502494D+00 -0.109695D+01  0.115625D+01
      5  -0.110499D+01  0.165480D+01  0.186069D+01 -0.108040D+01  0.342929D+01
      6  -0.168079D+01 -0.433151D+00  0.359993D+00 -0.190987D+01 -0.215040D+01
               256           257           258           259           260 
      1   0.993953D+00 -0.129104D+01  0.506698D+00 -0.195367D+00 -0.431140D+01
      2  -0.466309D+00 -0.152003D+01  0.333007D+01 -0.412101D+01  0.401163D+01
      3  -0.527644D+00  0.281107D+01 -0.383677D+01  0.431638D+01  0.299762D+00
      4  -0.136601D+01 -0.127707D+01 -0.950420D-01  0.310927D+01  0.263371D+01
      5  -0.154009D+01 -0.107898D+01 -0.227172D+01  0.621849D+01  0.122602D+01
      6  -0.138038D+01  0.702807D+00  0.218381D+01  0.355074D+01  0.533368D+01
               261           262           263           264           265 
      1  -0.142099D+02  0.205929D+02  0.839432D+01 -0.170983D+01  0.123998D+02
      2  -0.204155D+02 -0.112337D+02 -0.554750D+01  0.238342D+01 -0.791083D+01
      3   0.346254D+02 -0.935914D+01 -0.284682D+01 -0.673587D+00 -0.448892D+01
      4   0.148738D+01  0.947453D+01  0.100046D+02 -0.216119D+01  0.619824D+01
      5   0.135531D+02 -0.636358D+01 -0.345760D+01  0.449623D+01 -0.847531D+01
      6   0.182615D+02 -0.344917D+01 -0.370166D+01  0.107631D+01 -0.291823D+01
               266           267           268           269           270 
      1   0.730869D+01 -0.252043D+01  0.492365D+01  0.702263D+00  0.468902D+00
      2  -0.393823D+01  0.343812D+01 -0.157613D+01  0.218352D+00 -0.239099D+01
      3  -0.337046D+01 -0.917684D+00 -0.334752D+01 -0.920615D+00  0.192209D+01
      4   0.117791D+02 -0.893224D-01 -0.331493D+01  0.254020D+01  0.354079D+01
      5  -0.222409D+01  0.497796D+01  0.109602D+01  0.308904D+01 -0.113993D+01
      6  -0.475867D+01  0.611382D+00  0.104873D+01  0.563112D-01 -0.138313D+01
               271           272           273           274           275 
      1  -0.204848D+01  0.703490D+00 -0.339126D+01  0.128995D+01 -0.146098D+01
      2  -0.365103D+00 -0.215269D+00 -0.106953D+01 -0.148000D+01 -0.147905D+01
      3   0.241358D+01 -0.488221D+00  0.446079D+01  0.190050D+00  0.294003D+01
      4   0.445465D+01 -0.467434D+00 -0.977475D+00  0.197967D+01 -0.653559D+00
      5   0.105553D+01 -0.152351D+01  0.843104D+00 -0.154511D+01 -0.236542D+01
      6  -0.563920D+00 -0.475211D+00  0.111438D+01 -0.121029D+01  0.964790D+00
               276           277           278           279           280 
      1  -0.818848D+00 -0.182795D+01  0.200142D+00 -0.150584D+02 -0.439228D+01
      2   0.214648D+01  0.540376D+01  0.216472D+01 -0.194816D+02  0.697171D+01
      3  -0.132763D+01 -0.357581D+01 -0.236486D+01  0.345400D+02 -0.257943D+01
      4  -0.251840D+01  0.194746D+01 -0.437326D+01  0.263104D+01  0.860810D+01
      5   0.121704D+01  0.810091D+01  0.985334D+00 -0.217787D+02 -0.389297D+01
      6   0.481417D+01 -0.132517D+01  0.334837D+01  0.623865D+01 -0.116247D+01
               281           282           283           284           285 
      1  -0.801202D+01  0.299336D+01 -0.667031D+01 -0.152909D+02  0.327406D+01
      2   0.115272D+02 -0.212732D+01  0.860350D+01  0.255163D+02 -0.247722D+01
      3  -0.351516D+01 -0.866043D+00 -0.193318D+01 -0.102254D+02 -0.796834D+00
      4   0.362758D+01  0.905709D+00  0.831546D+01  0.641568D+01 -0.138604D+01
      5  -0.188369D+01 -0.157158D+00 -0.338560D+01 -0.321565D+01  0.444261D+00
      6  -0.810459D+01  0.446041D+01 -0.307779D+01 -0.835570D+01  0.523946D+01
               286           287           288           289           290 
      1  -0.345708D+00 -0.748286D+00 -0.325897D+01 -0.101683D+01 -0.190349D+01
      2   0.815814D+00  0.421874D+01  0.131579D+01 -0.193023D+01  0.164759D+01
      3  -0.470105D+00 -0.347046D+01  0.194318D+01  0.294706D+01  0.255899D+00
      4   0.287171D+01 -0.378361D+01  0.311174D+01 -0.712639D+00  0.868082D+00
      5  -0.483778D+00  0.883506D+00 -0.124431D+01  0.140292D+01 -0.734083D+00
      6   0.294021D+01  0.152031D+01 -0.128812D+01 -0.173946D+01 -0.204668D+01
               291           292           293           294           295 
      1   0.286030D+01  0.415945D-02 -0.180594D+01 -0.487447D+00  0.259367D+01
      2  -0.887180D+00  0.421924D+00 -0.589469D+00 -0.374636D+01 -0.691441D+00
      3  -0.197312D+01 -0.426084D+00  0.239541D+01  0.423381D+01 -0.190223D+01
      4  -0.195309D+01 -0.124937D+01  0.454968D+01 -0.906503D+00 -0.432586D+01
      5   0.440292D+01 -0.891442D-02 -0.830629D+00  0.160475D+01  0.347852D+01
      6   0.171811D+01 -0.193259D+01  0.475374D+00  0.121825D+01  0.368008D+00
               296           297           298           299           300 
      1   0.518579D+01 -0.200890D+02 -0.305474D+01  0.332722D+01  0.166976D+00
      2  -0.131126D+01 -0.144326D+02  0.485867D+01 -0.343883D+01  0.350661D+00
      3  -0.387453D+01  0.345215D+02 -0.180393D+01  0.111614D+00 -0.517637D+00
      4   0.229923D+01  0.196926D+01 -0.166031D+01  0.289736D+00 -0.196704D+01
      5  -0.194833D+01  0.899670D+01 -0.242226D+01 -0.307513D+00 -0.110495D+01
      6   0.800865D+01 -0.208167D+02 -0.102978D+01 -0.416259D+01 -0.184150D+01
               301           302           303           304           305 
      1   0.582806D+01 -0.196111D+02 -0.382846D+01 -0.311409D+01 -0.153662D+01
      2  -0.426388D+01  0.306787D+02  0.279992D+01  0.227421D+01 -0.181453D+01
      3  -0.156418D+01 -0.110676D+02  0.102855D+01  0.839886D+00  0.335115D+01
      4   0.517376D+01  0.955873D+01  0.195145D+01 -0.325036D+01 -0.337133D+01
      5   0.299938D+01 -0.448484D+00  0.216751D+01 -0.154580D+01  0.421065D+00
      6  -0.458200D-01  0.124969D+02  0.618825D+01 -0.160496D+01  0.252219D+01
               306           307           308           309           310 
      1  -0.472288D+01 -0.869302D+00  0.370804D+00  0.354473D+01 -0.259072D+01
      2   0.278564D+01 -0.202762D+01  0.840263D-01 -0.562104D-01  0.233185D+01
      3   0.193724D+01  0.289692D+01 -0.454831D+00 -0.348852D+01  0.258876D+00
      4  -0.554240D+00 -0.810975D+00 -0.144681D+01  0.252200D+00 -0.186644D+01
      5  -0.671518D+00  0.125071D+01 -0.989166D+00  0.277326D+01 -0.160201D+01
      6   0.162321D+01 -0.510523D+00 -0.202024D+01 -0.234969D+01 -0.164283D+01
               311           312           313           314           315 
      1  -0.462547D+01 -0.103064D+01  0.382025D+01 -0.438309D+01 -0.206779D+02
      2   0.219470D+01  0.425832D+01 -0.355141D+01  0.943530D-01 -0.139419D+02
      3   0.243077D+01 -0.322769D+01 -0.268845D+00  0.428874D+01  0.346197D+02
      4  -0.178897D+01  0.471852D+00  0.327337D+01  0.292282D+01  0.603960D+00
      5  -0.223384D+00 -0.225723D+01  0.473193D+01  0.332096D+01  0.163337D+02
      6   0.144033D+01  0.284547D+01  0.100610D+01  0.678952D+01  0.157702D+02
               316           317           318           319           320 
      1   0.614037D+01 -0.287197D+01  0.914041D+00 -0.870750D+01  0.550014D+00
      2  -0.175543D+00 -0.106222D+01 -0.693167D+00  0.325469D+01  0.624870D+01
      3  -0.596483D+01  0.393419D+01 -0.220874D+00  0.545281D+01 -0.679871D+01
      4  -0.891479D+01  0.106141D+02  0.192181D+01  0.100250D+02 -0.212184D+02
      5  -0.106170D+01  0.207354D+01  0.181157D+01  0.707611D+01 -0.378354D+01
      6   0.179789D+01 -0.334111D+01 -0.157382D+01 -0.447761D+01  0.904017D+01
               321           322           323           324           325 
      1   0.133399D+01  0.628865D+01 -0.136557D+01 -0.246708D+01 -0.444989D+01
      2  -0.248110D+01 -0.352447D+01 -0.774817D+00  0.519756D+00  0.188892D+01
      3   0.114710D+01 -0.276418D+01  0.214039D+01  0.194732D+01  0.256097D+01
      4  -0.311538D+01  0.828962D+00  0.178984D+01 -0.352654D+01 -0.121917D+01
      5  -0.550823D+01 -0.484310D+00 -0.285331D+01 -0.530868D+00  0.141466D+01
      6   0.333277D+01 -0.793733D+00  0.171138D+01  0.174366D+01 -0.896823D+00
               326           327           328           329           330 
      1   0.620709D+00 -0.268953D+01  0.196657D+01 -0.142643D+01 -0.308999D+00
      2  -0.121261D+01 -0.194349D+01 -0.187382D+01 -0.131886D+01  0.866630D+00
      3   0.591903D+00  0.463302D+01 -0.927523D-01  0.274529D+01 -0.557631D+00
      4   0.719511D+00  0.317267D+00  0.310098D+01 -0.809172D+00 -0.317289D+01
      5  -0.427279D+00  0.592912D+00 -0.629591D+00 -0.277516D+01  0.534963D+00
      6  -0.664778D+00  0.605522D+00 -0.134433D+01  0.101072D+01  0.505788D+01
               331           332           333 
      1  -0.337710D+01 -0.245937D+01 -0.175303D+02
      2   0.581178D+01 -0.106599D+01 -0.170307D+02
      3  -0.243468D+01  0.352536D+01  0.345609D+02
      4  -0.331644D+00 -0.394331D+01 -0.338893D+01
      5   0.760444D+01 -0.269855D+01 -0.225461D+02
      6  -0.411112D+00  0.391981D+01  0.255791D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 01:48:30 2021, MaxMem= 10737418240 cpu:          220287.1 elap:           13783.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -15.09014 -15.09013 -15.09012 -15.09011 -15.09011
 Alpha  occ. eigenvalues --  -15.09009 -10.87976 -10.87975 -10.87974 -10.87945
 Alpha  occ. eigenvalues --  -10.87945 -10.87945  -3.84556  -2.60677  -2.60677
 Alpha  occ. eigenvalues --   -2.60269  -1.50849  -1.49629  -1.49629  -1.46794
 Alpha  occ. eigenvalues --   -1.46794  -1.46741  -1.28853  -1.28582  -1.28582
 Alpha  occ. eigenvalues --   -1.16551  -1.16550  -1.15407  -1.08341  -1.07906
 Alpha  occ. eigenvalues --   -1.07904  -1.07676  -1.05513  -1.05512  -1.05190
 Alpha  occ. eigenvalues --   -1.05050  -1.05050  -0.98345  -0.98343  -0.97559
 Alpha  occ. eigenvalues --   -0.96686  -0.96684  -0.96594  -0.94540  -0.93207
 Alpha  occ. eigenvalues --   -0.93206  -0.89273  -0.89272  -0.88899  -0.87399
 Alpha  occ. eigenvalues --   -0.87399  -0.86939  -0.84941  -0.84723  -0.84723
 Alpha  occ. eigenvalues --   -0.83554  -0.82989  -0.82988
 Alpha virt. eigenvalues --   -0.38171  -0.38166  -0.35624  -0.34359  -0.33221
 Alpha virt. eigenvalues --   -0.33221  -0.31095  -0.30056  -0.30055  -0.28652
 Alpha virt. eigenvalues --   -0.28651  -0.27009  -0.26594  -0.26591  -0.26298
 Alpha virt. eigenvalues --   -0.26122  -0.26121  -0.25515  -0.24730  -0.24339
 Alpha virt. eigenvalues --   -0.24338  -0.22929  -0.22127  -0.22122  -0.22048
 Alpha virt. eigenvalues --   -0.22047  -0.21949  -0.20825  -0.20824  -0.20269
 Alpha virt. eigenvalues --   -0.20083  -0.20007  -0.20006  -0.18633  -0.18545
 Alpha virt. eigenvalues --   -0.18529  -0.18453  -0.17450  -0.17447  -0.17041
 Alpha virt. eigenvalues --   -0.17039  -0.17008  -0.16802  -0.16262  -0.16259
 Alpha virt. eigenvalues --   -0.15397  -0.15187  -0.15177  -0.14752  -0.14723
 Alpha virt. eigenvalues --   -0.14703  -0.14166  -0.14163  -0.14110  -0.13991
 Alpha virt. eigenvalues --   -0.13985  -0.13709  -0.13146  -0.12710  -0.12699
 Alpha virt. eigenvalues --   -0.12004  -0.11998  -0.11586  -0.11548  -0.11305
 Alpha virt. eigenvalues --   -0.11303  -0.10771  -0.10630  -0.10617  -0.10239
 Alpha virt. eigenvalues --   -0.09896  -0.09811  -0.09802  -0.09363  -0.09361
 Alpha virt. eigenvalues --   -0.08521  -0.08487  -0.08469  -0.08467  -0.07946
 Alpha virt. eigenvalues --   -0.07942  -0.06839  -0.06837  -0.06791  -0.06693
 Alpha virt. eigenvalues --   -0.06439  -0.04894  -0.04877  -0.04874  -0.04416
 Alpha virt. eigenvalues --   -0.04413  -0.03539  -0.03533  -0.03411  -0.03353
 Alpha virt. eigenvalues --   -0.03340  -0.03337  -0.02279  -0.02277  -0.01298
 Alpha virt. eigenvalues --   -0.01189  -0.01071  -0.01070  -0.00867   0.00394
 Alpha virt. eigenvalues --    0.00785   0.00788   0.02220   0.02227   0.02792
 Alpha virt. eigenvalues --    0.03780   0.03789   0.04006   0.04254   0.04640
 Alpha virt. eigenvalues --    0.04647   0.05761   0.05829   0.05832   0.06487
 Alpha virt. eigenvalues --    0.06881   0.06882   0.07613   0.07617   0.08441
 Alpha virt. eigenvalues --    0.08548   0.09252   0.09671   0.09673   0.09916
 Alpha virt. eigenvalues --    0.09921   0.10885   0.10886   0.11920   0.12310
 Alpha virt. eigenvalues --    0.12312   0.12489   0.12494   0.13381   0.14094
 Alpha virt. eigenvalues --    0.14129   0.14130   0.14827   0.15432   0.15433
 Alpha virt. eigenvalues --    0.16415   0.16911   0.17068   0.17074   0.17595
 Alpha virt. eigenvalues --    0.17600   0.19195   0.19199   0.19330   0.19752
 Alpha virt. eigenvalues --    0.20174   0.20218   0.20222   0.22101   0.22102
 Alpha virt. eigenvalues --    0.22144   0.22817   0.22821   0.23717   0.23722
 Alpha virt. eigenvalues --    0.24777   0.25006   0.25009   0.25128   0.26394
 Alpha virt. eigenvalues --    0.27603   0.27604   0.27868   0.27939   0.28248
 Alpha virt. eigenvalues --    0.28250   0.29727   0.29729   0.30111   0.30113
 Alpha virt. eigenvalues --    0.31698   0.31787   0.32098   0.32098   0.32360
 Alpha virt. eigenvalues --    0.32771   0.32773   0.33271   0.34040   0.34043
 Alpha virt. eigenvalues --    0.34717   0.34722   0.34905   0.36496   0.36501
 Alpha virt. eigenvalues --    0.37685   0.37692   0.37694   0.37827   0.39221
 Alpha virt. eigenvalues --    0.39663   0.39668   0.39900   0.40147   0.40148
 Alpha virt. eigenvalues --    0.41088   0.41091   0.41711   0.41712   0.42247
 Alpha virt. eigenvalues --    0.42993   0.42997   0.43256   0.43258   0.44183
 Alpha virt. eigenvalues --    0.45193   0.45809   0.47679   0.48176   0.48179
 Alpha virt. eigenvalues --    0.48267   0.49445   0.49446   0.50877   0.50879
 Alpha virt. eigenvalues --    0.52889   0.52893   0.53304   0.53421   0.53732
 Alpha virt. eigenvalues --    0.53734   0.54488   0.54491   0.54928   0.55211
 Alpha virt. eigenvalues --    0.57330   0.57433   0.57435   0.58303   0.59749
 Alpha virt. eigenvalues --    0.59752   0.60694   0.61514   0.61516   0.62333
 Alpha virt. eigenvalues --    0.62339   0.62770   0.64203   0.64211   0.65529
 Alpha virt. eigenvalues --    0.65538   0.68315   0.68662   0.70610   0.70612
 Alpha virt. eigenvalues --    0.70939   0.71160   0.71371   0.71375   0.72940
 Alpha virt. eigenvalues --    0.72940   0.73460   0.76761   0.77007   0.77009
 Alpha virt. eigenvalues --    0.77304   0.77308   0.80218   0.81148   0.82888
 Alpha virt. eigenvalues --    0.82889   0.85195   0.85200   0.88720   0.88909
 Alpha virt. eigenvalues --    0.88915   0.90635   0.90637   0.91329   0.92270
 Alpha virt. eigenvalues --    0.93253   0.93258   0.95550   0.95551   0.96847
 Alpha virt. eigenvalues --    0.97806   0.97958   1.00261   1.00263   1.03623
 Alpha virt. eigenvalues --    1.04143   1.04151   1.07715   1.10852   1.10859
 Alpha virt. eigenvalues --    1.13507   1.13508   1.14865   1.16416   1.16427
 Alpha virt. eigenvalues --    1.18401   1.18403   1.19769   1.21870   1.22289
 Alpha virt. eigenvalues --    1.22296   1.26394   1.26650   1.26656   1.28926
 Alpha virt. eigenvalues --    1.28934   1.31452   1.32157   1.32165   1.32557
 Alpha virt. eigenvalues --    1.35143   1.35143   1.35583   1.38750   1.38759
 Alpha virt. eigenvalues --    1.40215   1.42040   1.42043   1.42117   1.42647
 Alpha virt. eigenvalues --    1.42654   1.44046   1.44569   1.46077   1.46079
 Alpha virt. eigenvalues --    1.46559   1.46561   1.47874   1.49988   1.50003
 Alpha virt. eigenvalues --    1.50970   1.51331   1.51340   1.53755   1.53985
 Alpha virt. eigenvalues --    1.55847   1.55852   1.56829   1.58397   1.58398
 Alpha virt. eigenvalues --    1.59205   1.59209   1.60676   1.62361   1.62362
 Alpha virt. eigenvalues --    1.64257   1.64260   1.65362   1.65453   1.65456
 Alpha virt. eigenvalues --    1.66080   1.66880   1.68236   1.68240   1.68274
 Alpha virt. eigenvalues --    1.70512   1.71048   1.71056   1.71360   1.73090
 Alpha virt. eigenvalues --    1.74456   1.75683   1.75687   1.76469   1.76593
 Alpha virt. eigenvalues --    1.76600   1.77788   1.77795   1.80757   1.80765
 Alpha virt. eigenvalues --    1.82419   1.83142   1.83153   1.83858   1.84996
 Alpha virt. eigenvalues --    1.85006   1.87649   1.88630   1.88637   1.92270
 Alpha virt. eigenvalues --    1.93489   1.93893   1.93905   1.94274   1.94278
 Alpha virt. eigenvalues --    1.95035   1.96131   1.96558   1.96570   1.98395
 Alpha virt. eigenvalues --    1.99637   1.99642   2.02965   2.02971   2.07289
 Alpha virt. eigenvalues --    2.07402   2.07408   2.08492   2.08501   2.09304
 Alpha virt. eigenvalues --    2.11508   2.12126   2.12130   2.15546   2.16553
 Alpha virt. eigenvalues --    2.17145   2.17158   2.17235   2.18345   2.18353
 Alpha virt. eigenvalues --    2.19669   2.20891   2.20969   2.20973   2.25449
 Alpha virt. eigenvalues --    2.25451   2.25828   2.25834   2.25969   2.26861
 Alpha virt. eigenvalues --    2.27725   2.27731   2.27979   2.27984   2.30595
 Alpha virt. eigenvalues --    2.32259   2.33101   2.33106   2.33283   2.33957
 Alpha virt. eigenvalues --    2.34811   2.34817   2.37178   2.37184   2.37190
 Alpha virt. eigenvalues --    2.38373   2.38691   2.38693   2.40990   2.40993
 Alpha virt. eigenvalues --    2.43027   2.43031   2.44633   2.50286   2.50311
 Alpha virt. eigenvalues --    2.50316   2.53891   2.56948   2.56955   2.60755
 Alpha virt. eigenvalues --    2.60761   2.62712   2.65561   2.67933   2.67934
 Alpha virt. eigenvalues --    2.71868   2.71876   2.73167   2.73945   2.76223
 Alpha virt. eigenvalues --    2.80109   2.80113   2.83290   2.83297   2.91798
 Alpha virt. eigenvalues --    2.93939   2.94216   2.94244   2.98317   2.98324
 Alpha virt. eigenvalues --    3.03116   3.04280   3.04924   3.04926   3.12418
 Alpha virt. eigenvalues --    3.14894   3.14905   3.38103   3.38117   3.77995
 Alpha virt. eigenvalues --    5.85325   5.85584  45.28431
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.344448   0.453540   0.379987  -1.907507   1.242210   0.025949
     2  C    0.453540   5.345855   1.243683  -1.909654   0.382017  -0.072622
     3  N    0.379987   1.243683  10.198293  -6.621395   0.808261   0.139654
     4  Rh  -1.907507  -1.909654  -6.621395  65.618384  -6.611914  -6.609331
     5  N    1.242210   0.382017   0.808261  -6.611914  10.194525  -0.002297
     6  N    0.025949  -0.072622   0.139654  -6.609331  -0.002297  10.193084
     7  C   -0.041993  -0.102971  -0.072101  -1.908256  -0.038729   1.242149
     8  C    0.104245  -0.041857   0.026057  -1.907518   0.216149   0.381636
     9  N    0.216591  -0.038573  -0.000959  -6.618233   0.725945   0.808606
    10  N   -0.072085   0.025908   0.000690  -6.623093   0.139695   0.726365
    11  C   -0.102739  -0.042063  -0.038053  -1.909085  -0.072496   0.216149
    12  C   -0.042062   0.104273   0.216591  -1.907442   0.025699  -0.038458
    13  N   -0.038001   0.215783   0.726903  -6.608747  -0.001677  -0.003604
    14  H    0.007725   0.003129   0.027539   0.544452   0.011658  -0.034920
    15  H   -0.011571  -0.000940  -0.041820   0.118195  -0.042217   0.042373
    16  H   -0.000180  -0.003778  -0.001349   0.543573  -0.026884  -0.605075
    17  H   -0.002211   0.004537  -0.021908   0.119312   0.076841  -0.080332
    18  H   -0.003787  -0.000191  -0.027153   0.544548  -0.001376   0.011697
    19  H    0.004593  -0.002265   0.077368   0.118568  -0.021884  -0.042267
    20  H    0.003026   0.007767   0.011532   0.542558   0.027482  -0.026826
    21  H   -0.000849  -0.011650  -0.042274   0.120915  -0.041617   0.076737
    22  H   -0.089152   0.179745  -0.604379   0.544087  -0.034880  -0.001382
    23  H   -0.112050  -0.352430  -0.080800   0.119716   0.041973  -0.021882
    24  H    0.180063  -0.088976  -0.034872   0.543592  -0.604627   0.027509
    25  H   -0.351789  -0.112553   0.042142   0.119542  -0.080762  -0.041703
    26  H   -0.138296   0.038210   0.004822  -0.130822   0.278180  -0.050691
    27  H   -0.019793  -0.023288  -0.002565   0.201406   0.052364   0.032228
    28  H    0.038361  -0.138682   0.277395  -0.130080   0.004285   0.011410
    29  H   -0.023496  -0.019661   0.051921   0.201052  -0.002313  -0.009796
    30  H    0.008622  -0.008766  -0.007875  -0.130410  -0.050697   0.091747
    31  H    0.025531   0.017388   0.033324   0.201102   0.032195  -0.100658
    32  H    0.006829   0.005910   0.091936  -0.130638   0.011392  -0.008020
    33  H   -0.003725  -0.015983  -0.100076   0.201889  -0.009803   0.033246
    34  H    0.005886   0.006827   0.011289  -0.130357   0.091720   0.278045
    35  H   -0.015991  -0.003775  -0.009826   0.201115  -0.100669   0.052718
    36  H   -0.008553   0.008443  -0.050683  -0.129967  -0.008059   0.004348
    37  H    0.017301   0.025698   0.032291   0.200957   0.033396  -0.002394
               7          8          9         10         11         12
     1  C   -0.041993   0.104245   0.216591  -0.072085  -0.102739  -0.042062
     2  C   -0.102971  -0.041857  -0.038573   0.025908  -0.042063   0.104273
     3  N   -0.072101   0.026057  -0.000959   0.000690  -0.038053   0.216591
     4  Rh  -1.908256  -1.907518  -6.618233  -6.623093  -1.909085  -1.907442
     5  N   -0.038729   0.216149   0.725945   0.139695  -0.072496   0.025699
     6  N    1.242149   0.381636   0.808606   0.726365   0.216149  -0.038458
     7  C    5.344577   0.453021   0.380621   0.217297   0.104395  -0.041891
     8  C    0.453021   5.344955   1.242905  -0.038871  -0.041865  -0.102993
     9  N    0.380621   1.242905  10.194796   0.000857   0.026321  -0.072226
    10  N    0.217297  -0.038871   0.000857  10.198926   1.243545   0.380227
    11  C    0.104395  -0.041865   0.026321   1.243545   5.345780   0.453408
    12  C   -0.041891  -0.102993  -0.072226   0.380227   0.453408   5.344518
    13  N    0.026035  -0.072651   0.139880   0.807895   0.380812   1.242338
    14  H   -0.089379   0.180013  -0.604831  -0.027100  -0.000188  -0.003797
    15  H   -0.111676  -0.352207  -0.079934   0.077117  -0.002229   0.004580
    16  H    0.180293  -0.089191  -0.034711   0.011598   0.007735   0.003081
    17  H   -0.351545  -0.112246   0.041983  -0.042266  -0.011603  -0.000903
    18  H    0.007723   0.003140   0.027525  -0.604586   0.179824  -0.089344
    19  H   -0.011577  -0.000938  -0.041842  -0.080131  -0.353088  -0.111631
    20  H   -0.000188  -0.003782  -0.001376  -0.034818  -0.088586   0.180079
    21  H   -0.002171   0.004555  -0.021821   0.042135  -0.113228  -0.351489
    22  H   -0.003791  -0.000184  -0.027066   0.027499   0.003082   0.007752
    23  H    0.004567  -0.002233   0.077157  -0.041759  -0.000887  -0.011605
    24  H    0.003080   0.007732   0.011545  -0.001353  -0.003768  -0.000182
    25  H   -0.000890  -0.011615  -0.042235  -0.021848   0.004559  -0.002226
    26  H    0.008546  -0.008713  -0.007885   0.011310   0.006808   0.005894
    27  H    0.025621   0.017334   0.033307  -0.009790  -0.003769  -0.015963
    28  H    0.006857   0.005898   0.091871  -0.050593   0.008467  -0.008595
    29  H   -0.003746  -0.016001  -0.100255   0.032303   0.025603   0.017388
    30  H    0.005887   0.006832   0.011332   0.004851   0.038292  -0.138364
    31  H   -0.015984  -0.003793  -0.009825  -0.002623  -0.023183  -0.019783
    32  H   -0.008529   0.008356  -0.050439   0.277862  -0.138591   0.038243
    33  H    0.017331   0.025640   0.032214   0.050999  -0.019680  -0.023489
    34  H   -0.138386   0.038305   0.004744  -0.008029  -0.008751   0.008605
    35  H   -0.019713  -0.023366  -0.002565   0.033325   0.017313   0.025648
    36  H    0.038353  -0.138703   0.278028   0.091847   0.005894   0.006849
    37  H   -0.023517  -0.019541   0.052188  -0.100331  -0.016004  -0.003744
              13         14         15         16         17         18
     1  C   -0.038001   0.007725  -0.011571  -0.000180  -0.002211  -0.003787
     2  C    0.215783   0.003129  -0.000940  -0.003778   0.004537  -0.000191
     3  N    0.726903   0.027539  -0.041820  -0.001349  -0.021908  -0.027153
     4  Rh  -6.608747   0.544452   0.118195   0.543573   0.119312   0.544548
     5  N   -0.001677   0.011658  -0.042217  -0.026884   0.076841  -0.001376
     6  N   -0.003604  -0.034920   0.042373  -0.605075  -0.080332   0.011697
     7  C    0.026035  -0.089379  -0.111676   0.180293  -0.351545   0.007723
     8  C   -0.072651   0.180013  -0.352207  -0.089191  -0.112246   0.003140
     9  N    0.139880  -0.604831  -0.079934  -0.034711   0.041983   0.027525
    10  N    0.807895  -0.027100   0.077117   0.011598  -0.042266  -0.604586
    11  C    0.380812  -0.000188  -0.002229   0.007735  -0.011603   0.179824
    12  C    1.242338  -0.003797   0.004580   0.003081  -0.000903  -0.089344
    13  N   10.192838  -0.001388  -0.021908   0.027542  -0.041663  -0.034956
    14  H   -0.001388   1.972884  -0.605242  -0.005477  -0.164447   0.000125
    15  H   -0.021908  -0.605242   2.488282  -0.164477   0.198408   0.000240
    16  H    0.027542  -0.005477  -0.164477   1.972785  -0.604901   0.002195
    17  H   -0.041663  -0.164447   0.198408  -0.604901   2.487753  -0.000508
    18  H   -0.034956   0.000125   0.000240   0.002195  -0.000508   1.972883
    19  H    0.042234   0.000231  -0.002531  -0.000503  -0.001865  -0.605222
    20  H   -0.604134   0.000044  -0.000358   0.000119   0.000229  -0.005583
    21  H   -0.081594  -0.000357   0.002232   0.000248  -0.002501  -0.164332
    22  H    0.011603   0.000123   0.000230   0.000045  -0.000360   0.000121
    23  H   -0.042171   0.000238  -0.002523  -0.000359   0.002235   0.000236
    24  H   -0.026949   0.002196  -0.000503   0.000121   0.000240   0.000044
    25  H    0.077111  -0.000508  -0.001865   0.000232  -0.002513  -0.000358
    26  H    0.091783  -0.002114  -0.002247  -0.000599   0.001161   0.000462
    27  H   -0.100538   0.005635  -0.005311   0.005462  -0.012390  -0.000755
    28  H   -0.007910  -0.000355   0.000071   0.000464   0.000147  -0.000587
    29  H    0.033341   0.003137  -0.002970  -0.000749   0.000388   0.005451
    30  H    0.277556   0.000463   0.000143  -0.000352   0.000069   0.006499
    31  H    0.053003  -0.000757   0.000398   0.003144  -0.002948   0.001487
    32  H    0.004342  -0.000592   0.001174  -0.002123  -0.002222  -0.048068
    33  H   -0.002342   0.005460  -0.012480   0.005643  -0.005329   0.052240
    34  H   -0.050709   0.006494  -0.018853  -0.048101   0.072927  -0.002123
    35  H    0.032295   0.001492  -0.003224   0.052348  -0.127298   0.005633
    36  H    0.011368  -0.048138   0.072950   0.006517  -0.018810  -0.000358
    37  H   -0.009829   0.052314  -0.127204   0.001492  -0.003247   0.003138
              19         20         21         22         23         24
     1  C    0.004593   0.003026  -0.000849  -0.089152  -0.112050   0.180063
     2  C   -0.002265   0.007767  -0.011650   0.179745  -0.352430  -0.088976
     3  N    0.077368   0.011532  -0.042274  -0.604379  -0.080800  -0.034872
     4  Rh   0.118568   0.542558   0.120915   0.544087   0.119716   0.543592
     5  N   -0.021884   0.027482  -0.041617  -0.034880   0.041973  -0.604627
     6  N   -0.042267  -0.026826   0.076737  -0.001382  -0.021882   0.027509
     7  C   -0.011577  -0.000188  -0.002171  -0.003791   0.004567   0.003080
     8  C   -0.000938  -0.003782   0.004555  -0.000184  -0.002233   0.007732
     9  N   -0.041842  -0.001376  -0.021821  -0.027066   0.077157   0.011545
    10  N   -0.080131  -0.034818   0.042135   0.027499  -0.041759  -0.001353
    11  C   -0.353088  -0.088586  -0.113228   0.003082  -0.000887  -0.003768
    12  C   -0.111631   0.180079  -0.351489   0.007752  -0.011605  -0.000182
    13  N    0.042234  -0.604134  -0.081594   0.011603  -0.042171  -0.026949
    14  H    0.000231   0.000044  -0.000357   0.000123   0.000238   0.002196
    15  H   -0.002531  -0.000358   0.002232   0.000230  -0.002523  -0.000503
    16  H   -0.000503   0.000119   0.000248   0.000045  -0.000359   0.000121
    17  H   -0.001865   0.000229  -0.002501  -0.000360   0.002235   0.000240
    18  H   -0.605222  -0.005583  -0.164332   0.000121   0.000236   0.000044
    19  H    2.488767  -0.164253   0.198265   0.000236  -0.002532  -0.000358
    20  H   -0.164253   1.972537  -0.604783   0.002204  -0.000505   0.000118
    21  H    0.198265  -0.604783   2.488009  -0.000510  -0.001866   0.000234
    22  H    0.000236   0.002204  -0.000510   1.972734  -0.605019  -0.005590
    23  H   -0.002532  -0.000505  -0.001866  -0.605019   2.488031  -0.164279
    24  H   -0.000358   0.000118   0.000234  -0.005590  -0.164279   1.972690
    25  H    0.002230   0.000243  -0.002512  -0.164300   0.198229  -0.604871
    26  H    0.000145  -0.000350   0.000070   0.006484  -0.018884  -0.048087
    27  H    0.000397   0.003138  -0.002948   0.001493  -0.003220   0.052288
    28  H    0.001180  -0.002140  -0.002215  -0.048107   0.072975   0.006529
    29  H   -0.012515   0.005647  -0.005327   0.052299  -0.127072   0.001493
    30  H   -0.018924  -0.048097   0.072943  -0.002134  -0.002238  -0.000605
    31  H   -0.003179   0.052298  -0.127252   0.005641  -0.005308   0.005449
    32  H    0.073003   0.006508  -0.018866  -0.000354   0.000073   0.000462
    33  H   -0.127044   0.001504  -0.003271   0.003132  -0.002968  -0.000749
    34  H   -0.002247  -0.000599   0.001148   0.000462   0.000144  -0.000353
    35  H   -0.005310   0.005459  -0.012342  -0.000757   0.000397   0.003139
    36  H    0.000073   0.000462   0.000148  -0.000587   0.001142  -0.002125
    37  H   -0.002974  -0.000751   0.000389   0.005451  -0.012451   0.005634
              25         26         27         28         29         30
     1  C   -0.351789  -0.138296  -0.019793   0.038361  -0.023496   0.008622
     2  C   -0.112553   0.038210  -0.023288  -0.138682  -0.019661  -0.008766
     3  N    0.042142   0.004822  -0.002565   0.277395   0.051921  -0.007875
     4  Rh   0.119542  -0.130822   0.201406  -0.130080   0.201052  -0.130410
     5  N   -0.080762   0.278180   0.052364   0.004285  -0.002313  -0.050697
     6  N   -0.041703  -0.050691   0.032228   0.011410  -0.009796   0.091747
     7  C   -0.000890   0.008546   0.025621   0.006857  -0.003746   0.005887
     8  C   -0.011615  -0.008713   0.017334   0.005898  -0.016001   0.006832
     9  N   -0.042235  -0.007885   0.033307   0.091871  -0.100255   0.011332
    10  N   -0.021848   0.011310  -0.009790  -0.050593   0.032303   0.004851
    11  C    0.004559   0.006808  -0.003769   0.008467   0.025603   0.038292
    12  C   -0.002226   0.005894  -0.015963  -0.008595   0.017388  -0.138364
    13  N    0.077111   0.091783  -0.100538  -0.007910   0.033341   0.277556
    14  H   -0.000508  -0.002114   0.005635  -0.000355   0.003137   0.000463
    15  H   -0.001865  -0.002247  -0.005311   0.000071  -0.002970   0.000143
    16  H    0.000232  -0.000599   0.005462   0.000464  -0.000749  -0.000352
    17  H   -0.002513   0.001161  -0.012390   0.000147   0.000388   0.000069
    18  H   -0.000358   0.000462  -0.000755  -0.000587   0.005451   0.006499
    19  H    0.002230   0.000145   0.000397   0.001180  -0.012515  -0.018924
    20  H    0.000243  -0.000350   0.003138  -0.002140   0.005647  -0.048097
    21  H   -0.002512   0.000070  -0.002948  -0.002215  -0.005327   0.072943
    22  H   -0.164300   0.006484   0.001493  -0.048107   0.052299  -0.002134
    23  H    0.198229  -0.018884  -0.003220   0.072975  -0.127072  -0.002238
    24  H   -0.604871  -0.048087   0.052288   0.006529   0.001493  -0.000605
    25  H    2.488010   0.072949  -0.127248  -0.018874  -0.003231   0.001171
    26  H    0.072949   1.000228  -0.208847   0.000023   0.003427   0.003168
    27  H   -0.127248  -0.208847   1.027815   0.003422  -0.000877  -0.000670
    28  H   -0.018874   0.000023   0.003422   1.000651  -0.208877   0.002718
    29  H   -0.003231   0.003427  -0.000877  -0.208877   1.028147  -0.006105
    30  H    0.001171   0.003168  -0.000670   0.002718  -0.006105   1.000300
    31  H   -0.012397  -0.002131   0.000777  -0.006132   0.005137  -0.208734
    32  H    0.000150  -0.000368   0.001154   0.003167  -0.002114   0.000025
    33  H    0.000392   0.001150  -0.001001  -0.000643   0.000751   0.003415
    34  H    0.000069   0.003161  -0.002146  -0.000373   0.001151   0.003163
    35  H   -0.002947  -0.000662   0.000779   0.001159  -0.001004  -0.002147
    36  H   -0.002229   0.002671  -0.006111   0.003159  -0.000658  -0.000372
    37  H   -0.005318  -0.006092   0.005133  -0.002126   0.000772   0.001154
              31         32         33         34         35         36
     1  C    0.025531   0.006829  -0.003725   0.005886  -0.015991  -0.008553
     2  C    0.017388   0.005910  -0.015983   0.006827  -0.003775   0.008443
     3  N    0.033324   0.091936  -0.100076   0.011289  -0.009826  -0.050683
     4  Rh   0.201102  -0.130638   0.201889  -0.130357   0.201115  -0.129967
     5  N    0.032195   0.011392  -0.009803   0.091720  -0.100669  -0.008059
     6  N   -0.100658  -0.008020   0.033246   0.278045   0.052718   0.004348
     7  C   -0.015984  -0.008529   0.017331  -0.138386  -0.019713   0.038353
     8  C   -0.003793   0.008356   0.025640   0.038305  -0.023366  -0.138703
     9  N   -0.009825  -0.050439   0.032214   0.004744  -0.002565   0.278028
    10  N   -0.002623   0.277862   0.050999  -0.008029   0.033325   0.091847
    11  C   -0.023183  -0.138591  -0.019680  -0.008751   0.017313   0.005894
    12  C   -0.019783   0.038243  -0.023489   0.008605   0.025648   0.006849
    13  N    0.053003   0.004342  -0.002342  -0.050709   0.032295   0.011368
    14  H   -0.000757  -0.000592   0.005460   0.006494   0.001492  -0.048138
    15  H    0.000398   0.001174  -0.012480  -0.018853  -0.003224   0.072950
    16  H    0.003144  -0.002123   0.005643  -0.048101   0.052348   0.006517
    17  H   -0.002948  -0.002222  -0.005329   0.072927  -0.127298  -0.018810
    18  H    0.001487  -0.048068   0.052240  -0.002123   0.005633  -0.000358
    19  H   -0.003179   0.073003  -0.127044  -0.002247  -0.005310   0.000073
    20  H    0.052298   0.006508   0.001504  -0.000599   0.005459   0.000462
    21  H   -0.127252  -0.018866  -0.003271   0.001148  -0.012342   0.000148
    22  H    0.005641  -0.000354   0.003132   0.000462  -0.000757  -0.000587
    23  H   -0.005308   0.000073  -0.002968   0.000144   0.000397   0.001142
    24  H    0.005449   0.000462  -0.000749  -0.000353   0.003139  -0.002125
    25  H   -0.012397   0.000150   0.000392   0.000069  -0.002947  -0.002229
    26  H   -0.002131  -0.000368   0.001150   0.003161  -0.000662   0.002671
    27  H    0.000777   0.001154  -0.001001  -0.002146   0.000779  -0.006111
    28  H   -0.006132   0.003167  -0.000643  -0.000373   0.001159   0.003159
    29  H    0.005137  -0.002114   0.000751   0.001151  -0.001004  -0.000658
    30  H   -0.208734   0.000025   0.003415   0.003163  -0.002147  -0.000372
    31  H    1.027435   0.003425  -0.000877  -0.000674   0.000791   0.001153
    32  H    0.003425   1.000590  -0.208839   0.002704  -0.006124   0.003160
    33  H   -0.000877  -0.208839   1.028354  -0.006106   0.005134  -0.002126
    34  H   -0.000674   0.002704  -0.006106   1.000104  -0.208751   0.000014
    35  H    0.000791  -0.006124   0.005134  -0.208751   1.027679   0.003427
    36  H    0.001153   0.003160  -0.002126   0.000014   0.003427   1.000215
    37  H   -0.001006  -0.000644   0.000752   0.003429  -0.000875  -0.208825
              37
     1  C    0.017301
     2  C    0.025698
     3  N    0.032291
     4  Rh   0.200957
     5  N    0.033396
     6  N   -0.002394
     7  C   -0.023517
     8  C   -0.019541
     9  N    0.052188
    10  N   -0.100331
    11  C   -0.016004
    12  C   -0.003744
    13  N   -0.009829
    14  H    0.052314
    15  H   -0.127204
    16  H    0.001492
    17  H   -0.003247
    18  H    0.003138
    19  H   -0.002974
    20  H   -0.000751
    21  H    0.000389
    22  H    0.005451
    23  H   -0.012451
    24  H    0.005634
    25  H   -0.005318
    26  H   -0.006092
    27  H    0.005133
    28  H   -0.002126
    29  H    0.000772
    30  H    0.001154
    31  H   -0.001006
    32  H   -0.000644
    33  H    0.000752
    34  H    0.003429
    35  H   -0.000875
    36  H   -0.208825
    37  H    1.027899
 Mulliken charges:
               1
     1  C    0.920924
     2  C    0.921963
     3  N    0.356409
     4  Rh  -1.880515
     5  N    0.356913
     6  N    0.356608
     7  C    0.920681
     8  C    0.921496
     9  N    0.356358
    10  N    0.357026
    11  C    0.921870
    12  C    0.921016
    13  N    0.356108
    14  H   -0.235761
    15  H   -0.392102
    16  H   -0.235825
    17  H   -0.392213
    18  H   -0.235922
    19  H   -0.392207
    20  H   -0.235823
    21  H   -0.392255
    22  H   -0.235869
    23  H   -0.392073
    24  H   -0.235912
    25  H   -0.392239
    26  H    0.086137
    27  H    0.077476
    28  H    0.086084
    29  H    0.077358
    30  H    0.086142
    31  H    0.077566
    32  H    0.086068
    33  H    0.077284
    34  H    0.086169
    35  H    0.077492
    36  H    0.086083
    37  H    0.077485
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.292773
     2  C    0.294021
     3  N    0.519852
     4  Rh  -1.880515
     5  N    0.520526
     6  N    0.520270
     7  C    0.292642
     8  C    0.293632
     9  N    0.519926
    10  N    0.520378
    11  C    0.293741
    12  C    0.292938
    13  N    0.519817
 Electronic spatial extent (au):  <R**2>=           2772.6583
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0006    Y=              0.0003    Z=              0.0022  Tot=              0.0023
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -31.0489   YY=            -31.0533   ZZ=            -51.8002
   XY=             -0.0015   XZ=             -0.0011   YZ=             -0.0018
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              6.9185   YY=              6.9141   ZZ=            -13.8327
   XY=             -0.0015   XZ=             -0.0011   YZ=             -0.0018
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             21.2289  YYY=            -31.7969  ZZZ=              0.0136  XYY=            -21.2202
  XXY=             31.8012  XXZ=              0.0035  XZZ=              0.0114  YZZ=             -0.0007
  YYZ=             -0.0013  XYZ=              0.0014
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -948.8113 YYYY=           -948.6222 ZZZZ=           -408.5489 XXXY=             -0.0263
 XXXZ=            -31.6925 YYYX=             -0.0165 YYYZ=            -21.1493 ZZZX=             -0.0072
 ZZZY=             -0.0116 XXYY=           -316.2520 XXZZ=           -237.0739 YYZZ=           -237.0508
 XXYZ=             21.1224 YYXZ=             31.6850 ZZXY=              0.0019
 N-N= 1.198185110711D+03 E-N=-3.903431295300D+03  KE= 6.066341156388D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 01:48:31 2021, MaxMem= 10737418240 cpu:              13.4 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.91296448D-04 1.38903366D-04 8.50858411D-04
 Polarizability= 1.47873068D+02-2.36766975D-03 1.47869736D+02
                -9.99417547D-05-2.53382388D-03 1.22516732D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0060   -0.0012       -0.0296   -0.0212
 2     -0.0060    0.0012        0.0135    0.0064        0.0228    0.0201
 3      0.0296    0.0212       12.8026   12.8355       -0.0118   -0.0064
 4     -0.0135   -0.0064       -0.0000    0.0000        0.0342    0.0212
 5    -12.8255  -12.8555       -0.0342   -0.0212       -0.0011   -0.0012
 6      0.0118    0.0064        0.0011    0.0012       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0037    0.0037       -0.0637   -0.0637
 2     -0.0192   -0.0192        0.0000    0.0000       -0.0637   -0.0637
 3     -0.0192   -0.0192        0.0037    0.0037        0.0000    0.0000
 4      0.0037    0.0037        0.0192    0.0192        0.0602    0.0602
 5      0.0637    0.0637       38.5064   38.5064       -0.0192   -0.0192
 6    -38.5666  -38.5666       -0.0637   -0.0637       -0.0037   -0.0037
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0358    0.0000        0.5155    0.0049       -0.4259    0.0849
 2      0.1693   -0.0049       -0.1413   -0.0256        0.0444   -0.0803
 3     -0.0925   -0.0849      -51.6118  -51.3419       -0.0557    0.0256
 4     -0.2016    0.0256        0.0485    0.0000        0.3383   -0.0849
 5     51.5880   51.4222       -0.0235    0.0849       -0.2105    0.0049
 6      0.0401   -0.0256        0.0524   -0.0049        0.0415    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.6318    0.0000       -0.0879    0.0101        0.4065   -0.1470
 2      0.2149   -0.0101       -0.2029   -0.0282       -0.0040   -0.0037
 3      0.3924    0.1470       -7.5925   -8.3086       -0.6191    0.0282
 4      0.0506    0.0282        0.1714    0.0000        0.0725    0.1470
 5      8.4902    8.3123       -0.5059   -0.1470       -0.4823    0.0101
 6      0.3440   -0.0282       -0.1520   -0.0101       -0.3429    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -56.4310  -56.6265      -84.4465  -84.6907        0.2567   -0.0080
 2    -56.5272  -56.6032      -84.1855  -84.6284        0.6509   -0.0080
 3    -56.5488  -56.6032      -84.0496  -84.6907        0.3299    0.1663
 4      0.4124   -0.0623        0.0795   -0.0233       -0.2861    0.0852
 5     -0.1578    0.1743      -26.8851  -27.9810        0.5713    0.0233
 6     26.8129   27.8958        0.0122   -0.1743       -0.3366    0.0623
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.2086   -0.0004   -0.0003    0.0004    3.3662   11.2833
 Low frequencies ---   79.3119   82.1585   89.6210
 Diagonal vibrational polarizability:
       12.5681142      12.4987150      14.3707008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.3063                82.1497                89.6203
 Red. masses --      2.9290                 2.9306                 2.8178
 Frc consts  --      0.0109                 0.0117                 0.0133
 IR Inten    --      0.0043                 0.0049                 0.0046
 RamAct Fr= 1--      1.0634                 1.0609                 0.0427
  Dep-P Fr= 1--      0.7498                 0.7498                 0.7497
  Dep-U Fr= 1--      0.8570                 0.8570                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1519                 0.1515                 0.0061
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.5016                -0.4902                -0.0162
 Delta2 Fr= 1--     -0.0354                -0.0247                -0.0017
 Raman1 Fr= 1--       4.253                  4.244                  0.171
 ROA1   Fr= 1--     -49.289                -47.852                 -1.610
 CID1   Fr= 1--     -11.588                -11.276                 -9.432
 Raman2 Fr= 1--       1.823                  1.818                  0.073
 ROA2   Fr= 1--     -11.755                -11.568                 -0.375
 CID2   Fr= 1--      -6.450                 -6.362                 -5.124
 Raman3 Fr= 1--       3.645                  3.637                  0.146
 ROA3   Fr= 1--     -49.289                -47.852                 -1.610
 CID3   Fr= 1--     -13.521                -13.158                -11.006
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06  -0.01     0.18  -0.05  -0.04     0.06  -0.08  -0.11
     2   6     0.06  -0.05  -0.02     0.17  -0.00  -0.04     0.09   0.05  -0.11
     3   7     0.02  -0.06  -0.01    -0.01  -0.04   0.03    -0.04   0.05   0.04
     4  45    -0.02  -0.04   0.00    -0.04   0.02  -0.01    -0.01   0.00   0.05
     5   7    -0.04  -0.03   0.03     0.03   0.05   0.02    -0.05  -0.03   0.03
     6   7    -0.07   0.01   0.01    -0.02   0.03  -0.04     0.06  -0.03   0.02
     7   6    -0.06   0.15  -0.05    -0.03  -0.14   0.06     0.04   0.04  -0.09
     8   6    -0.09   0.10  -0.04     0.05  -0.15   0.06    -0.06  -0.01  -0.09
     9   7     0.01  -0.02   0.04    -0.04  -0.03  -0.01    -0.04  -0.07   0.03
    10   7     0.05  -0.02  -0.02    -0.06  -0.01  -0.04     0.06   0.01   0.03
    11   6     0.11   0.16   0.06    -0.02   0.07   0.03     0.01  -0.06  -0.10
    12   6     0.15   0.10   0.06     0.04   0.08   0.04    -0.07   0.02  -0.10
    13   7    -0.03   0.01  -0.04    -0.02   0.05   0.01    -0.00   0.08   0.03
    14   1    -0.07   0.19  -0.06     0.05  -0.26   0.13    -0.07   0.03  -0.16
    15   1    -0.20   0.04  -0.08     0.19  -0.11   0.05    -0.15  -0.04  -0.10
    16   1    -0.13   0.23  -0.10     0.05  -0.21   0.10     0.03   0.08  -0.16
    17   1     0.06   0.20  -0.03    -0.16  -0.17   0.09     0.13   0.07  -0.10
    18   1     0.24   0.21   0.11     0.01   0.08   0.04    -0.03  -0.10  -0.17
    19   1    -0.01   0.27   0.06    -0.08   0.10   0.07     0.09  -0.13  -0.10
    20   1     0.18   0.23   0.10     0.07   0.14   0.09    -0.10  -0.02  -0.17
    21   1     0.27  -0.01   0.08     0.11   0.04   0.01    -0.15   0.10  -0.11
    22   1     0.10  -0.07  -0.05     0.26  -0.08  -0.07     0.16   0.02  -0.19
    23   1     0.09  -0.00   0.01     0.19   0.14  -0.06     0.11   0.20  -0.12
    24   1     0.03  -0.04  -0.01     0.30  -0.01  -0.08     0.15  -0.07  -0.20
    25   1    -0.01  -0.09  -0.05     0.15  -0.19  -0.04     0.03  -0.22  -0.12
    26   1    -0.03  -0.00   0.08     0.08   0.16   0.09    -0.02   0.04   0.14
    27   1    -0.10  -0.02   0.03    -0.05   0.05   0.01    -0.18  -0.07   0.03
    28   1     0.02  -0.09  -0.02    -0.00  -0.15   0.12    -0.04  -0.03   0.15
    29   1     0.02  -0.05  -0.01    -0.10   0.00   0.02    -0.15   0.14   0.03
    30   1    -0.10   0.11  -0.14    -0.05   0.08  -0.01     0.02   0.04   0.12
    31   1    -0.08  -0.10  -0.03    -0.02   0.02   0.01     0.02   0.20   0.03
    32   1     0.15  -0.08  -0.11    -0.01  -0.02  -0.11     0.01   0.02   0.10
    33   1    -0.04  -0.08  -0.02    -0.13  -0.05  -0.03     0.16   0.03   0.02
    34   1    -0.16  -0.01   0.06     0.07   0.03  -0.15     0.02  -0.03   0.10
    35   1    -0.02  -0.04   0.00    -0.10   0.13  -0.03     0.14  -0.09   0.02
    36   1     0.08   0.03   0.13    -0.12  -0.08  -0.08    -0.01  -0.04   0.11
    37   1     0.02  -0.13   0.03    -0.03   0.06  -0.01    -0.06  -0.17   0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    145.4431               146.0857               167.3231
 Red. masses --      2.9558                 2.9495                 2.6774
 Frc consts  --      0.0368                 0.0371                 0.0442
 IR Inten    --      0.9057                 0.8614                 0.0103
 RamAct Fr= 1--      0.2927                 0.3133                 1.2640
  Dep-P Fr= 1--      0.7499                 0.7482                 0.7004
  Dep-U Fr= 1--      0.8571                 0.8560                 0.8238
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0011
 Beta2  Fr= 1--      0.0418                 0.0447                 0.1736
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0158
 Gamma2 Fr= 1--      0.9949                 1.0324                -2.2660
 Delta2 Fr= 1--      0.1510                 0.1545                -0.2757
 Raman1 Fr= 1--       1.171                  1.253                  5.056
 ROA1   Fr= 1--     100.347                104.054               -226.360
 CID1   Fr= 1--      85.709                 83.037                -44.770
 Raman2 Fr= 1--       0.502                  0.536                  2.083
 ROA2   Fr= 1--      22.670                 23.541                -52.179
 CID2   Fr= 1--      45.184                 43.895                -25.054
 Raman3 Fr= 1--       1.003                  1.073                  4.165
 ROA3   Fr= 1--     100.347                104.054               -226.360
 CID3   Fr= 1--     100.000                 97.009                -54.344
 RC180  Fr= 1--       0.714                  0.712                  0.648
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.07     0.11  -0.03   0.06     0.08  -0.04  -0.01
     2   6     0.12  -0.02   0.05    -0.04  -0.04   0.07    -0.10  -0.00   0.01
     3   7     0.11  -0.04  -0.05    -0.08  -0.04   0.08    -0.09   0.02   0.07
     4  45    -0.01   0.01   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
     5   7    -0.06   0.06   0.08     0.12  -0.00  -0.05     0.08  -0.02  -0.07
     6   7     0.06  -0.04  -0.00     0.01  -0.12   0.09    -0.02   0.09  -0.07
     7   6     0.04  -0.07  -0.08    -0.01  -0.09   0.03    -0.00   0.10  -0.01
     8   6    -0.02  -0.04  -0.09    -0.06   0.10   0.01     0.06  -0.09   0.01
     9   7    -0.05  -0.02  -0.04    -0.05   0.12  -0.08     0.04  -0.09   0.07
    10   7     0.05   0.11   0.09     0.08   0.03   0.01     0.05   0.07   0.07
    11   6     0.03   0.09   0.04     0.07   0.06  -0.08     0.04   0.09   0.01
    12   6    -0.10  -0.07   0.01    -0.01   0.04  -0.09    -0.08  -0.06  -0.01
    13   7    -0.09  -0.09  -0.08    -0.05   0.03  -0.05    -0.06  -0.07  -0.07
    14   1    -0.04  -0.05  -0.14    -0.07   0.17  -0.07     0.07  -0.17   0.10
    15   1    -0.04  -0.03  -0.06    -0.11   0.16   0.14     0.13  -0.14  -0.12
    16   1     0.08  -0.10  -0.09     0.01  -0.14   0.12    -0.05   0.17  -0.10
    17   1     0.04  -0.09  -0.12    -0.01  -0.16  -0.10     0.02   0.18   0.12
    18   1     0.07   0.13   0.13     0.12   0.07  -0.07     0.10   0.13   0.10
    19   1     0.05   0.16  -0.09     0.08   0.09  -0.13     0.05   0.17  -0.11
    20   1    -0.13  -0.14  -0.06    -0.03   0.05  -0.14    -0.12  -0.13  -0.09
    21   1    -0.16  -0.11   0.15    -0.04   0.03  -0.05    -0.16  -0.08   0.12
    22   1     0.17  -0.05   0.00    -0.08  -0.04   0.16    -0.17   0.03   0.09
    23   1     0.17  -0.01   0.15    -0.10  -0.05  -0.02    -0.17  -0.03  -0.11
    24   1    -0.06   0.06   0.15     0.18  -0.02   0.01     0.16  -0.04  -0.09
    25   1    -0.07   0.08  -0.03     0.16  -0.05   0.16     0.14  -0.10   0.11
    26   1    -0.05   0.06   0.16     0.11   0.03  -0.16     0.08   0.00  -0.14
    27   1    -0.13   0.12   0.07     0.23  -0.01  -0.04     0.15  -0.04  -0.06
    28   1     0.09  -0.07  -0.17    -0.07  -0.04   0.16    -0.08   0.04   0.14
    29   1     0.22  -0.07  -0.04    -0.16  -0.06   0.07    -0.17   0.03   0.06
    30   1    -0.06  -0.10  -0.22    -0.06   0.04  -0.07    -0.04  -0.08  -0.15
    31   1    -0.18  -0.18  -0.06    -0.10   0.04  -0.05    -0.12  -0.13  -0.06
    32   1     0.05   0.08   0.21     0.10   0.00   0.07     0.07   0.05   0.14
    33   1     0.10   0.21   0.08     0.14   0.05   0.00     0.09   0.13   0.06
    34   1     0.09  -0.03   0.05     0.01  -0.10   0.21    -0.05   0.08  -0.15
    35   1     0.11  -0.08  -0.00     0.02  -0.24   0.07    -0.04   0.17  -0.06
    36   1    -0.07  -0.03  -0.05    -0.02   0.11  -0.21     0.00  -0.09   0.15
    37   1    -0.10  -0.02  -0.04    -0.10   0.23  -0.06     0.07  -0.17   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    217.6300               219.9432               225.8217
 Red. masses --      2.8494                 2.8634                 2.9493
 Frc consts  --      0.0795                 0.0816                 0.0886
 IR Inten    --      3.9561                 3.8975                18.2078
 RamAct Fr= 1--      2.8465                 2.8901                 0.0426
  Dep-P Fr= 1--      0.7495                 0.7499                 0.7442
  Dep-U Fr= 1--      0.8568                 0.8571                 0.8533
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4065                 0.4128                 0.0061
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.1667                 0.1757                -0.0072
 Delta2 Fr= 1--      0.2203                 0.2142                 0.0008
 Raman1 Fr= 1--      11.386                 11.560                  0.170
 ROA1   Fr= 1--      23.050                 23.718                 -0.664
 CID1   Fr= 1--       2.024                  2.052                 -3.895
 Raman2 Fr= 1--       4.878                  4.954                  0.073
 ROA2   Fr= 1--       2.237                  2.502                 -0.179
 CID2   Fr= 1--       0.459                  0.505                 -2.466
 Raman3 Fr= 1--       9.756                  9.908                  0.145
 ROA3   Fr= 1--      23.050                 23.718                 -0.664
 CID3   Fr= 1--       2.363                  2.394                 -4.564
 RC180  Fr= 1--       0.714                  0.714                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.01    -0.05  -0.09   0.00    -0.03  -0.01  -0.04
     2   6     0.01  -0.07   0.00     0.01  -0.08  -0.00    -0.03   0.01  -0.04
     3   7     0.14  -0.06  -0.11    -0.01  -0.07   0.03     0.09   0.04  -0.04
     4  45    -0.00  -0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.08
     5   7     0.12  -0.03  -0.11    -0.10  -0.05   0.03     0.06  -0.08  -0.04
     6   7    -0.06  -0.01   0.02    -0.08   0.12  -0.10     0.03   0.12  -0.06
     7   6    -0.07   0.01  -0.01    -0.08   0.01   0.01     0.01  -0.02  -0.04
     8   6    -0.08  -0.07  -0.00     0.02   0.02   0.01     0.01  -0.02  -0.04
     9   7    -0.05  -0.10   0.03    -0.03   0.10  -0.10    -0.09   0.08  -0.06
    10   7     0.01   0.07   0.07     0.13   0.07   0.08     0.00  -0.11  -0.04
    11   6    -0.02   0.01  -0.01     0.10  -0.03  -0.00     0.03   0.01  -0.04
    12   6    -0.05   0.09  -0.01     0.01  -0.02  -0.00     0.02   0.01  -0.04
    13   7     0.03   0.13   0.07     0.08   0.02   0.08    -0.10  -0.03  -0.04
    14   1    -0.07  -0.06   0.02     0.03  -0.05   0.09    -0.01  -0.12  -0.03
    15   1    -0.09  -0.10  -0.05     0.14   0.05   0.01     0.12   0.02  -0.03
    16   1    -0.08   0.03  -0.06    -0.03  -0.05   0.07     0.09  -0.09  -0.03
    17   1    -0.04   0.04   0.04    -0.20  -0.03   0.03    -0.10  -0.06  -0.04
    18   1    -0.07  -0.02  -0.08     0.04  -0.06  -0.02     0.12   0.04  -0.04
    19   1     0.04  -0.06   0.01     0.18  -0.09  -0.04    -0.04   0.07  -0.04
    20   1    -0.06   0.05  -0.03    -0.03  -0.09  -0.08     0.03   0.11  -0.04
    21   1    -0.10   0.16  -0.04    -0.09   0.04   0.02     0.09  -0.05  -0.03
    22   1    -0.06  -0.03   0.06     0.05  -0.09  -0.05    -0.09   0.07  -0.05
    23   1    -0.01  -0.21   0.02     0.04  -0.03   0.04    -0.04  -0.08  -0.04
    24   1    -0.07   0.02   0.08    -0.03  -0.07   0.02    -0.11  -0.04  -0.04
    25   1     0.04   0.17   0.01    -0.08  -0.12  -0.04    -0.02   0.07  -0.04
    26   1     0.09  -0.07  -0.29    -0.08  -0.04   0.10     0.03  -0.11  -0.16
    27   1     0.30  -0.07  -0.09    -0.16  -0.03   0.02     0.17  -0.16  -0.02
    28   1     0.12  -0.01  -0.29    -0.01  -0.09   0.08     0.08   0.08  -0.17
    29   1     0.32  -0.09  -0.09    -0.06  -0.07   0.02     0.23   0.07  -0.02
    30   1     0.03   0.10   0.20     0.10  -0.02   0.21    -0.12   0.01  -0.19
    31   1     0.11   0.23   0.06     0.17   0.13   0.07    -0.24  -0.10  -0.02
    32   1    -0.02   0.07   0.18     0.10   0.07   0.23     0.05  -0.12  -0.18
    33   1     0.09   0.14   0.06     0.22   0.18   0.07    -0.05  -0.25  -0.02
    34   1    -0.08  -0.01   0.05    -0.04   0.10  -0.26     0.08   0.11  -0.22
    35   1    -0.05  -0.03   0.02    -0.14   0.27  -0.08     0.03   0.29  -0.03
    36   1    -0.05  -0.09   0.08    -0.06   0.07  -0.25    -0.13   0.04  -0.22
    37   1    -0.04  -0.14   0.02    -0.08   0.25  -0.08    -0.20   0.22  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    251.8832               289.5113               290.1385
 Red. masses --      4.9302                 2.0243                 2.0434
 Frc consts  --      0.1843                 0.1000                 0.1013
 IR Inten    --      0.0006                 1.4305                 1.5222
 RamAct Fr= 1--     15.8885                 0.7739                 0.7909
  Dep-P Fr= 1--      0.0615                 0.7461                 0.7490
  Dep-U Fr= 1--      0.1159                 0.8546                 0.8565
 Alpha2 Fr= 1--      0.3054                 0.0001                 0.0000
 Beta2  Fr= 1--      0.3068                 0.1102                 0.1129
 AlphaG Fr= 1--      0.4334                -0.0000                -0.0000
 Gamma2 Fr= 1--      8.0262                 0.4605                 0.4297
 Delta2 Fr= 1--      0.1331                -0.1646                -0.1627
 Raman1 Fr= 1--      63.554                  3.095                  3.164
 ROA1   Fr= 1--     774.773                 38.941                 36.045
 CID1   Fr= 1--      12.191                 12.580                 11.393
 Raman2 Fr= 1--       3.682                  1.323                  1.355
 ROA2   Fr= 1--     191.563                 12.369                 11.615
 CID2   Fr= 1--      52.031                  9.351                  8.572
 Raman3 Fr= 1--       7.363                  2.645                  2.710
 ROA3   Fr= 1--     774.773                 38.941                 36.045
 CID3   Fr= 1--     105.219                 14.720                 13.301
 RC180  Fr= 1--      -0.768                  0.709                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.18   0.00     0.06  -0.07  -0.00    -0.05   0.09   0.01
     2   6     0.03   0.18  -0.00    -0.07  -0.07   0.01     0.08   0.04  -0.00
     3   7    -0.04   0.14  -0.02     0.04  -0.03  -0.03    -0.05  -0.01  -0.01
     4  45    -0.00  -0.00  -0.00    -0.02   0.03  -0.00    -0.03  -0.02   0.00
     5   7     0.08   0.12   0.02    -0.04   0.03  -0.01     0.05   0.01  -0.03
     6   7    -0.15   0.01   0.02     0.03  -0.01   0.03     0.01  -0.06   0.00
     7   6    -0.18  -0.05   0.00     0.04   0.03  -0.01     0.05   0.12  -0.01
     8   6    -0.17  -0.07  -0.00     0.02  -0.03  -0.00     0.12  -0.05   0.01
     9   7    -0.11  -0.10  -0.02    -0.03   0.01   0.02    -0.02   0.06  -0.02
    10   7     0.14  -0.04  -0.02     0.04   0.06   0.01     0.03  -0.01   0.03
    11   6     0.14  -0.11  -0.00     0.00  -0.13  -0.01     0.02  -0.03  -0.01
    12   6     0.13  -0.13   0.00     0.13   0.01   0.01     0.02   0.02  -0.00
    13   7     0.06  -0.13   0.02    -0.04  -0.05  -0.02    -0.03   0.00   0.03
    14   1    -0.15  -0.01   0.02     0.01  -0.10   0.01     0.11  -0.26   0.13
    15   1    -0.20  -0.08  -0.01     0.08  -0.03  -0.04     0.33  -0.06  -0.11
    16   1    -0.12  -0.08  -0.02     0.01   0.08  -0.06    -0.09   0.27  -0.11
    17   1    -0.21  -0.06   0.01     0.09   0.08   0.03     0.21   0.25   0.12
    18   1     0.08  -0.13   0.02    -0.19  -0.22  -0.12    -0.00  -0.06  -0.05
    19   1     0.17  -0.14  -0.01     0.10  -0.31   0.12     0.05  -0.08   0.02
    20   1     0.13  -0.07  -0.02     0.20   0.20   0.13     0.03   0.07  -0.00
    21   1     0.16  -0.15   0.01     0.32  -0.07  -0.11     0.05   0.01  -0.03
    22   1     0.06   0.13   0.02    -0.19   0.01   0.10     0.21  -0.06  -0.07
    23   1     0.03   0.22  -0.01    -0.15  -0.19  -0.07     0.16   0.17   0.09
    24   1    -0.00   0.15  -0.02     0.21  -0.03  -0.07    -0.19   0.07   0.11
    25   1     0.06   0.21   0.01     0.08  -0.20   0.08    -0.07   0.24  -0.08
    26   1     0.08   0.11   0.00    -0.01   0.10   0.05     0.01  -0.04  -0.15
    27   1     0.10   0.11   0.02    -0.10   0.04  -0.02     0.16  -0.01  -0.02
    28   1    -0.03   0.13   0.01     0.02   0.02  -0.14    -0.05  -0.09   0.06
    29   1    -0.06   0.14  -0.02     0.14  -0.06  -0.02    -0.12   0.00  -0.02
    30   1     0.05  -0.12  -0.00    -0.08   0.03  -0.16    -0.06   0.03   0.04
    31   1     0.04  -0.15   0.02    -0.12  -0.15  -0.01    -0.03   0.01   0.03
    32   1     0.12  -0.03   0.01    -0.05   0.10   0.13     0.02  -0.02   0.09
    33   1     0.15  -0.02  -0.02     0.12   0.15  -0.00     0.07   0.03   0.02
    34   1    -0.13   0.01  -0.00     0.02   0.00   0.10    -0.09  -0.07   0.12
    35   1    -0.15   0.04   0.02     0.06  -0.07   0.02     0.05  -0.17  -0.01
    36   1    -0.09  -0.09   0.01    -0.08  -0.01   0.02    -0.09   0.01  -0.16
    37   1    -0.09  -0.12  -0.02    -0.04   0.02   0.02    -0.05   0.19  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    311.9051               332.0750               332.8181
 Red. masses --      1.7074                 3.3015                 3.3205
 Frc consts  --      0.0979                 0.2145                 0.2167
 IR Inten    --      0.0010                 6.6984                 6.7156
 RamAct Fr= 1--      2.3224                 2.1622                 2.1180
  Dep-P Fr= 1--      0.3837                 0.7493                 0.7497
  Dep-U Fr= 1--      0.5546                 0.8567                 0.8569
 Alpha2 Fr= 1--      0.0182                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2147                 0.3087                 0.3025
 AlphaG Fr= 1--     -0.0590                -0.0000                 0.0000
 Gamma2 Fr= 1--     -2.8776                -3.3831                -3.4188
 Delta2 Fr= 1--     -0.3792                -0.1793                -0.1863
 Raman1 Fr= 1--       9.290                  8.649                  8.472
 ROA1   Fr= 1--    -288.385               -330.512               -334.165
 CID1   Fr= 1--     -31.044                -38.215                -39.443
 Raman2 Fr= 1--       2.576                  3.705                  3.630
 ROA2   Fr= 1--     -66.029                -79.759                -80.560
 CID2   Fr= 1--     -25.632                -21.529                -22.193
 Raman3 Fr= 1--       5.152                  7.409                  7.260
 ROA3   Fr= 1--    -288.385               -330.512               -334.165
 CID3   Fr= 1--     -55.976                -44.607                -46.027
 RC180  Fr= 1--       0.109                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.00    -0.05  -0.05   0.01    -0.08  -0.06  -0.00
     2   6     0.07   0.00  -0.00     0.02   0.01   0.01     0.06  -0.11  -0.00
     3   7    -0.05  -0.03   0.05     0.00   0.02   0.09    -0.03  -0.11   0.05
     4  45     0.00  -0.00  -0.00     0.09   0.01   0.00    -0.01   0.09  -0.00
     5   7     0.03  -0.05  -0.05    -0.01  -0.08   0.04    -0.01  -0.08  -0.10
     6   7     0.02   0.05  -0.05    -0.10  -0.04   0.06     0.03   0.01   0.09
     7   6     0.01  -0.06   0.00    -0.12   0.05  -0.00     0.02   0.01   0.01
     8   6    -0.03   0.06  -0.00    -0.05  -0.10  -0.00    -0.05  -0.04   0.01
     9   7     0.05  -0.03   0.05    -0.08  -0.02  -0.09    -0.07  -0.02   0.05
    10   7    -0.00   0.06   0.05    -0.08   0.07   0.00     0.03  -0.03  -0.11
    11   6    -0.03  -0.06  -0.00    -0.11   0.01  -0.01     0.06   0.01  -0.00
    12   6     0.05   0.04   0.00     0.00   0.05  -0.01     0.03  -0.11  -0.01
    13   7    -0.06  -0.00  -0.05    -0.02   0.02  -0.10     0.09  -0.07   0.01
    14   1    -0.03   0.18  -0.09    -0.03  -0.19   0.13    -0.06  -0.07  -0.01
    15   1    -0.17   0.06   0.07     0.09  -0.11  -0.09    -0.04  -0.05  -0.01
    16   1     0.09  -0.16   0.09    -0.17   0.13  -0.11     0.03   0.03  -0.06
    17   1    -0.10  -0.15  -0.08    -0.02   0.13   0.09     0.05   0.03   0.03
    18   1    -0.15  -0.12  -0.10    -0.17  -0.02  -0.05     0.11   0.07   0.12
    19   1     0.04  -0.18   0.08    -0.08  -0.06   0.05     0.01   0.11  -0.07
    20   1     0.10   0.16   0.10     0.05   0.09   0.11    -0.00  -0.18  -0.06
    21   1     0.18  -0.01  -0.08     0.10   0.02  -0.07    -0.06  -0.09   0.06
    22   1     0.18  -0.07  -0.10     0.05   0.02  -0.08     0.15  -0.15  -0.11
    23   1     0.14   0.13   0.08     0.05   0.07   0.04     0.13  -0.01   0.09
    24   1    -0.20   0.01   0.10    -0.09  -0.07   0.00    -0.18  -0.05   0.13
    25   1    -0.08   0.17  -0.08    -0.06  -0.03  -0.02    -0.11   0.08  -0.09
    26   1    -0.00  -0.11  -0.17    -0.02  -0.13   0.09    -0.05  -0.12  -0.29
    27   1     0.17  -0.06  -0.03    -0.06  -0.07   0.04     0.18  -0.15  -0.07
    28   1    -0.04  -0.10   0.17     0.03   0.03   0.24    -0.02  -0.18   0.18
    29   1    -0.17   0.00   0.03    -0.16   0.03   0.07    -0.17  -0.10   0.04
    30   1    -0.09   0.06  -0.17    -0.02   0.05  -0.29     0.12  -0.12   0.06
    31   1    -0.14  -0.11  -0.03    -0.17  -0.11  -0.08     0.13  -0.03   0.00
    32   1    -0.07   0.08   0.17    -0.13   0.11   0.03     0.06  -0.02  -0.30
    33   1     0.09   0.15   0.04    -0.06   0.11  -0.00    -0.09  -0.20  -0.08
    34   1     0.09   0.05  -0.17    -0.18  -0.04   0.20     0.04   0.03   0.22
    35   1    -0.03   0.17  -0.03    -0.07  -0.19   0.04     0.06  -0.13   0.07
    36   1     0.10   0.02   0.17    -0.13  -0.07  -0.28    -0.11  -0.03   0.13
    37   1     0.08  -0.15   0.03    -0.18   0.16  -0.07    -0.04  -0.09   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    402.3115               403.0990               403.5553
 Red. masses --      4.0000                 4.4349                 4.1794
 Frc consts  --      0.3814                 0.4246                 0.4010
 IR Inten    --      0.4422                 0.3988                 0.3922
 RamAct Fr= 1--      3.0299                 1.9176                 2.5519
  Dep-P Fr= 1--      0.7498                 0.7495                 0.7500
  Dep-U Fr= 1--      0.8570                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4328                 0.2738                 0.3646
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.5302                 0.3134                 0.4769
 Delta2 Fr= 1--      0.2515                 0.1439                 0.2094
 Raman1 Fr= 1--      12.120                  7.670                 10.208
 ROA1   Fr= 1--      58.950                 34.688                 52.487
 CID1   Fr= 1--       4.864                  4.522                  5.142
 Raman2 Fr= 1--       5.193                  3.286                  4.375
 ROA2   Fr= 1--      10.714                  6.370                  9.772
 CID2   Fr= 1--       2.063                  1.938                  2.234
 Raman3 Fr= 1--      10.387                  6.572                  8.749
 ROA3   Fr= 1--      58.950                 34.688                 52.487
 CID3   Fr= 1--       5.675                  5.278                  5.999
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.07  -0.04     0.01   0.10  -0.08    -0.00  -0.05   0.04
     2   6    -0.01  -0.03  -0.04    -0.04  -0.12  -0.08     0.02   0.05   0.04
     3   7    -0.04  -0.05  -0.02    -0.14  -0.17  -0.11     0.05   0.06   0.03
     4  45     0.00  -0.07   0.04     0.05   0.03   0.07    -0.06   0.02   0.06
     5   7    -0.04   0.12  -0.07    -0.05   0.18  -0.09     0.02  -0.08   0.03
     6   7     0.08   0.08   0.05    -0.10  -0.11  -0.08    -0.10  -0.11  -0.07
     7   6     0.06   0.03   0.05    -0.07  -0.04  -0.05    -0.08  -0.03  -0.07
     8   6    -0.06  -0.01   0.05     0.05   0.02  -0.05     0.11   0.02  -0.07
     9   7    -0.09   0.01   0.04     0.10  -0.02  -0.04     0.19  -0.03  -0.10
    10   7    -0.07   0.19  -0.10     0.01  -0.02   0.01    -0.04   0.11  -0.05
    11   6    -0.08   0.09  -0.07     0.01  -0.02   0.02    -0.04   0.04  -0.05
    12   6     0.07  -0.06  -0.07    -0.03   0.02   0.02     0.08  -0.05  -0.05
    13   7     0.16  -0.04  -0.07    -0.04   0.01   0.02     0.16  -0.04  -0.08
    14   1    -0.09  -0.00  -0.04     0.09   0.05   0.04     0.17   0.07   0.09
    15   1    -0.09   0.00   0.09     0.05   0.01  -0.07     0.14   0.00  -0.12
    16   1     0.09   0.05  -0.05    -0.14  -0.03   0.06    -0.14  -0.04   0.06
    17   1     0.08   0.06   0.09    -0.08  -0.05  -0.08    -0.09  -0.06  -0.11
    18   1    -0.15   0.13   0.09    -0.00  -0.04  -0.02    -0.09   0.06   0.04
    19   1    -0.08   0.13  -0.13     0.02  -0.04   0.05    -0.04   0.06  -0.09
    20   1     0.12  -0.11   0.07    -0.05   0.00  -0.02     0.11  -0.11   0.07
    21   1     0.11  -0.05  -0.12    -0.06   0.02   0.05     0.10  -0.05  -0.09
    22   1    -0.00  -0.06   0.02    -0.03  -0.21   0.10     0.04   0.06  -0.04
    23   1    -0.02  -0.04  -0.06    -0.07  -0.13  -0.14     0.04   0.07   0.08
    24   1     0.03   0.11   0.06     0.05   0.17   0.08     0.01  -0.08  -0.04
    25   1    -0.01   0.08  -0.06    -0.01   0.13  -0.13     0.01  -0.08   0.08
    26   1    -0.02   0.16  -0.07    -0.03   0.21   0.01     0.00  -0.04  -0.19
    27   1    -0.04   0.14  -0.07    -0.15   0.17  -0.09     0.20  -0.19   0.06
    28   1    -0.04  -0.06   0.01    -0.14  -0.23  -0.04     0.01   0.02  -0.19
    29   1    -0.06  -0.00  -0.02    -0.23  -0.17  -0.12     0.26   0.09   0.06
    30   1     0.15  -0.06   0.06     0.01   0.00  -0.18     0.19  -0.08  -0.06
    31   1     0.23   0.06  -0.08    -0.22  -0.07   0.05     0.20  -0.02  -0.09
    32   1    -0.11   0.20   0.01    -0.01   0.03  -0.20    -0.06   0.11  -0.00
    33   1    -0.02   0.30  -0.12    -0.06  -0.20   0.03     0.02   0.11  -0.05
    34   1     0.06   0.05  -0.16    -0.16  -0.13  -0.10    -0.13  -0.10   0.02
    35   1     0.09   0.29   0.08    -0.10  -0.10  -0.08    -0.05  -0.18  -0.07
    36   1    -0.05  -0.00  -0.18     0.13  -0.01  -0.04     0.24  -0.00  -0.03
    37   1    -0.21   0.18   0.07     0.05  -0.04  -0.04     0.24  -0.10  -0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    462.0651               462.7682               505.7485
 Red. masses --      4.0278                 4.0376                 4.5179
 Frc consts  --      0.5067                 0.5094                 0.6809
 IR Inten    --      7.5279                 7.5500                 0.0010
 RamAct Fr= 1--      4.8405                 4.8894                45.4841
  Dep-P Fr= 1--      0.7500                 0.7500                 0.0012
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0024
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.0080
 Beta2  Fr= 1--      0.6915                 0.6985                 0.0179
 AlphaG Fr= 1--      0.0000                 0.0000                -0.7888
 Gamma2 Fr= 1--      1.6923                 1.6806                -0.3788
 Delta2 Fr= 1--      0.1546                 0.1478                 0.0882
 Raman1 Fr= 1--      19.362                 19.557                181.936
 ROA1   Fr= 1--     167.408                166.069                -33.542
 CID1   Fr= 1--       8.646                  8.491                 -0.184
 Raman2 Fr= 1--       8.298                  8.382                  0.214
 ROA2   Fr= 1--      39.379                 39.152                 -9.796
 CID2   Fr= 1--       4.746                  4.671                -45.690
 Raman3 Fr= 1--      16.596                 16.763                  0.429
 ROA3   Fr= 1--     167.408                166.069                -33.542
 CID3   Fr= 1--      10.087                  9.907                -78.220
 RC180  Fr= 1--       0.714                  0.714                 -0.995
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.02    -0.03  -0.03   0.00     0.02   0.01   0.01
     2   6    -0.01   0.04   0.01     0.03  -0.01   0.01    -0.02   0.02  -0.01
     3   7    -0.05  -0.01  -0.09     0.16   0.08   0.18    -0.13  -0.06  -0.15
     4  45     0.03   0.01   0.00     0.01  -0.03   0.00     0.00  -0.00  -0.00
     5   7     0.08  -0.11   0.12    -0.09   0.08  -0.16     0.10  -0.11   0.15
     6   7    -0.05  -0.17  -0.20    -0.03  -0.05  -0.03     0.05   0.14   0.15
     7   6     0.03  -0.03  -0.01    -0.02  -0.01  -0.02    -0.02   0.01   0.01
     8   6     0.01   0.04   0.01     0.03   0.01  -0.02    -0.01  -0.02  -0.01
     9   7    -0.14   0.11   0.20     0.04  -0.01  -0.01     0.12  -0.08  -0.15
    10   7    -0.00   0.13  -0.11     0.02   0.13  -0.17     0.01   0.14  -0.15
    11   6     0.00   0.02  -0.02     0.04   0.00   0.00     0.02   0.01  -0.01
    12   6     0.02  -0.03  -0.01    -0.02  -0.03   0.01    -0.00  -0.03   0.01
    13   7    -0.03  -0.02   0.07    -0.18  -0.04   0.19    -0.14  -0.03   0.15
    14   1    -0.06  -0.10  -0.10     0.04   0.01   0.01     0.05   0.09   0.07
    15   1     0.04   0.06   0.03     0.03  -0.00  -0.04    -0.04  -0.04  -0.02
    16   1    -0.11   0.04   0.10    -0.04  -0.01   0.02     0.10  -0.05  -0.07
    17   1     0.07  -0.02  -0.03    -0.01  -0.02  -0.04    -0.07  -0.00   0.01
    18   1    -0.08   0.03   0.06    -0.09  -0.01   0.08    -0.11   0.00   0.07
    19   1     0.03   0.02  -0.04     0.07  -0.02  -0.01     0.06  -0.02  -0.02
    20   1     0.02   0.03  -0.03    -0.03   0.12  -0.10    -0.01   0.11  -0.07
    21   1     0.03  -0.04  -0.02     0.00  -0.06   0.04     0.04  -0.06   0.01
    22   1     0.04  -0.02   0.04    -0.04   0.11  -0.09     0.06  -0.09   0.07
    23   1    -0.00   0.06   0.02     0.03  -0.05   0.04    -0.01   0.06  -0.02
    24   1    -0.05  -0.08  -0.07     0.07   0.04   0.08    -0.09  -0.06  -0.07
    25   1     0.04   0.00   0.05    -0.04  -0.05  -0.01     0.03   0.06   0.01
    26   1     0.08  -0.16   0.19    -0.09   0.11  -0.25     0.10  -0.12   0.19
    27   1     0.01  -0.11   0.12     0.02   0.13  -0.16     0.01  -0.13   0.15
    28   1    -0.06  -0.01  -0.15     0.18   0.13   0.29    -0.14  -0.07  -0.19
    29   1    -0.00  -0.08  -0.09     0.05   0.14   0.17    -0.07  -0.12  -0.15
    30   1    -0.03  -0.03   0.12    -0.23  -0.00   0.30    -0.15  -0.03   0.20
    31   1    -0.04   0.05   0.08    -0.14   0.09   0.18    -0.12   0.06   0.15
    32   1    -0.03   0.16  -0.17     0.00   0.16  -0.27     0.00   0.15  -0.18
    33   1    -0.05   0.09  -0.10    -0.10   0.10  -0.17    -0.07   0.12  -0.15
    34   1    -0.09  -0.19  -0.32    -0.06  -0.06  -0.04     0.06   0.15   0.20
    35   1    -0.15  -0.07  -0.19    -0.02  -0.03  -0.02     0.11   0.08   0.15
    36   1    -0.20   0.10   0.32     0.07  -0.00  -0.01     0.13  -0.08  -0.18
    37   1    -0.17  -0.04   0.20     0.02  -0.02  -0.01     0.14  -0.00  -0.15
                     22                     23                     24
                      A                      A                      A
 Frequencies --    523.1981               558.3983               559.2010
 Red. masses --      1.5617                 1.8402                 1.8425
 Frc consts  --      0.2519                 0.3381                 0.3395
 IR Inten    --      3.2686                 3.4648                 3.3960
 RamAct Fr= 1--      0.0121                 0.3323                 0.3188
  Dep-P Fr= 1--      0.0517                 0.7457                 0.7373
  Dep-U Fr= 1--      0.0983                 0.8543                 0.8488
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0002                 0.0473                 0.0451
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0015                -1.0567                -1.0053
 Delta2 Fr= 1--     -0.0002                -0.1737                -0.1764
 Raman1 Fr= 1--       0.048                  1.329                  1.275
 ROA1   Fr= 1--      -0.151               -107.001               -102.156
 CID1   Fr= 1--      -3.134                -80.488                -80.110
 Raman2 Fr= 1--       0.002                  0.568                  0.541
 ROA2   Fr= 1--      -0.035                -23.971                -22.717
 CID2   Fr= 1--     -14.611                -42.214                -41.975
 Raman3 Fr= 1--       0.005                  1.136                  1.082
 ROA3   Fr= 1--      -0.151               -107.001               -102.156
 CID3   Fr= 1--     -31.892                -94.216                -94.380
 RC180  Fr= 1--      -0.803                  0.709                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05  -0.05    -0.00  -0.01   0.02     0.02   0.06  -0.07
     2   6    -0.01  -0.05  -0.05    -0.00   0.03   0.02    -0.00  -0.06  -0.07
     3   7     0.04  -0.02   0.03    -0.03   0.00  -0.02     0.07  -0.00   0.07
     4  45     0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.03  -0.00   0.00
     5   7     0.04   0.00   0.04    -0.02   0.01  -0.02     0.07  -0.03   0.08
     6   7    -0.02   0.03   0.03    -0.01   0.07   0.08     0.01  -0.02  -0.02
     7   6    -0.05  -0.02  -0.05    -0.06  -0.01  -0.07     0.02   0.00   0.01
     8   6     0.05   0.02  -0.05     0.06   0.03  -0.07    -0.01  -0.00   0.01
     9   7    -0.01   0.04   0.04    -0.03   0.06   0.08     0.01  -0.01  -0.01
    10   7    -0.03  -0.03   0.04     0.02   0.04  -0.05     0.03   0.05  -0.06
    11   6    -0.04   0.03  -0.05     0.03  -0.02   0.05     0.05  -0.03   0.05
    12   6     0.04  -0.03  -0.05    -0.03   0.04   0.05    -0.03   0.03   0.05
    13   7    -0.02  -0.04   0.03     0.04   0.03  -0.05     0.04   0.03  -0.06
    14   1     0.05  -0.13   0.07     0.05  -0.23   0.11    -0.01   0.05  -0.03
    15   1     0.19   0.00  -0.15     0.30   0.01  -0.23    -0.05   0.01   0.05
    16   1     0.04  -0.13   0.07     0.10  -0.21   0.11    -0.01   0.04  -0.02
    17   1    -0.15  -0.11  -0.15    -0.24  -0.18  -0.24     0.06   0.03   0.04
    18   1     0.09   0.11   0.07    -0.12  -0.11  -0.08    -0.13  -0.12  -0.08
    19   1    -0.10   0.16  -0.15     0.10  -0.17   0.16     0.13  -0.19   0.17
    20   1     0.10   0.10   0.07    -0.10  -0.13  -0.07    -0.10  -0.15  -0.09
    21   1     0.18  -0.08  -0.15    -0.19   0.09   0.16    -0.20   0.09   0.18
    22   1    -0.14   0.02   0.07     0.07  -0.02  -0.03    -0.22   0.07   0.11
    23   1    -0.09  -0.17  -0.14     0.04   0.09   0.07    -0.14  -0.25  -0.23
    24   1    -0.14   0.03   0.07     0.08  -0.00  -0.04    -0.23   0.02   0.11
    25   1    -0.02   0.19  -0.14     0.02  -0.09   0.08    -0.03   0.29  -0.23
    26   1     0.05  -0.04   0.22    -0.02   0.01  -0.09     0.09  -0.02   0.23
    27   1    -0.14   0.03   0.02     0.06   0.01  -0.02    -0.12  -0.05   0.07
    28   1     0.07   0.01   0.22    -0.03   0.01  -0.06     0.09  -0.01   0.23
    29   1    -0.14   0.03   0.02     0.01  -0.03  -0.02    -0.10   0.09   0.06
    30   1    -0.06  -0.03   0.22     0.04   0.05  -0.15     0.05   0.04  -0.19
    31   1     0.10   0.11   0.01    -0.01  -0.08  -0.05    -0.03  -0.11  -0.05
    32   1    -0.02  -0.07   0.23     0.03   0.05  -0.17     0.05   0.05  -0.17
    33   1     0.10   0.11   0.02    -0.10  -0.04  -0.04    -0.09  -0.02  -0.05
    34   1     0.01   0.07   0.22    -0.02   0.09   0.24     0.01  -0.02  -0.04
    35   1     0.05  -0.14   0.02     0.11  -0.09   0.07    -0.02  -0.00  -0.02
    36   1    -0.05   0.05   0.22    -0.03   0.09   0.23     0.01  -0.01  -0.06
    37   1     0.04  -0.14   0.02    -0.03  -0.13   0.07    -0.00   0.05  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    676.1695               676.4235               713.9514
 Red. masses --      1.2961                 1.2962                 1.2647
 Frc consts  --      0.3491                 0.3494                 0.3798
 IR Inten    --      0.1365                 0.1366                 0.0008
 RamAct Fr= 1--      0.0560                 0.0466                 2.0361
  Dep-P Fr= 1--      0.6996                 0.7474                 0.2054
  Dep-U Fr= 1--      0.8233                 0.8554                 0.3408
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0273
 Beta2  Fr= 1--      0.0077                 0.0066                 0.1157
 AlphaG Fr= 1--      0.0001                -0.0000                 0.3016
 Gamma2 Fr= 1--     -0.9347                -0.8375                -4.8895
 Delta2 Fr= 1--      0.1079                 0.0973                -0.0354
 Raman1 Fr= 1--       0.224                  0.186                  8.144
 ROA1   Fr= 1--     -86.284                -77.288               -470.522
 CID1   Fr= 1--    -385.003               -414.716                -57.773
 Raman2 Fr= 1--       0.092                  0.080                  1.388
 ROA2   Fr= 1--     -23.297                -20.879               -117.065
 CID2   Fr= 1--    -252.530               -261.933                -84.344
 Raman3 Fr= 1--       0.185                  0.159                  2.776
 ROA3   Fr= 1--     -86.284                -77.288               -470.522
 CID3   Fr= 1--    -467.647               -484.806               -169.504
 RC180  Fr= 1--       0.647                  0.711                 -0.318
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02    -0.00  -0.01  -0.00     0.00  -0.01  -0.01
     2   6    -0.00  -0.01  -0.01    -0.00  -0.01   0.02    -0.00  -0.00   0.01
     3   7    -0.03  -0.01   0.05    -0.03   0.01   0.05    -0.04   0.00   0.05
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.01   0.00     0.04  -0.02  -0.07     0.03  -0.01  -0.04
     6   7     0.00   0.04  -0.06     0.01  -0.02   0.03    -0.00   0.03  -0.04
     7   6     0.01   0.01   0.01    -0.01  -0.00   0.02     0.00   0.01  -0.01
     8   6     0.00   0.00   0.02    -0.01  -0.00   0.00     0.00  -0.00   0.01
     9   7    -0.00  -0.01   0.02    -0.03   0.04  -0.07     0.02  -0.03   0.04
    10   7    -0.02  -0.04  -0.07    -0.00   0.02   0.02     0.02   0.03   0.04
    11   6     0.01  -0.01  -0.01    -0.00   0.01  -0.02     0.00   0.01   0.01
    12   6     0.01  -0.01   0.01     0.01  -0.00  -0.02    -0.01   0.00  -0.01
    13   7     0.03   0.03   0.06     0.03   0.01   0.04    -0.03  -0.02  -0.05
    14   1    -0.01   0.03  -0.04    -0.01  -0.07   0.05     0.00   0.06  -0.04
    15   1    -0.06   0.00   0.05     0.08   0.02  -0.00    -0.08  -0.02   0.03
    16   1     0.05  -0.03   0.04    -0.02   0.04  -0.05     0.04  -0.05   0.04
    17   1    -0.06  -0.02   0.01     0.06   0.04   0.05    -0.08  -0.03  -0.03
    18   1     0.07   0.03   0.06    -0.01   0.01   0.01    -0.06  -0.03  -0.04
    19   1    -0.06   0.07  -0.03     0.00   0.02  -0.04     0.06  -0.07   0.03
    20   1    -0.02  -0.06  -0.06     0.01  -0.03  -0.01     0.02   0.06   0.04
    21   1    -0.08   0.05   0.03    -0.01   0.02  -0.03     0.07  -0.05  -0.02
    22   1     0.02  -0.03  -0.03     0.05  -0.03  -0.05     0.05  -0.04  -0.04
    23   1     0.00   0.04  -0.02     0.03   0.08   0.04     0.02   0.09   0.03
    24   1    -0.02   0.01   0.02    -0.07  -0.02   0.06    -0.06  -0.01   0.04
    25   1    -0.01   0.03  -0.05     0.01   0.09  -0.02     0.01   0.09  -0.03
    26   1     0.00   0.02  -0.02     0.07  -0.12   0.34     0.06  -0.06   0.25
    27   1     0.00  -0.04   0.01    -0.29   0.25  -0.13    -0.23   0.15  -0.09
    28   1    -0.08  -0.07  -0.25    -0.08  -0.05  -0.24    -0.08  -0.03  -0.25
    29   1     0.26   0.11   0.10     0.25   0.07   0.09     0.27   0.05   0.09
    30   1     0.11   0.01  -0.29     0.08  -0.01  -0.19    -0.08  -0.02   0.25
    31   1    -0.29  -0.11   0.11    -0.22  -0.05   0.08     0.24   0.12  -0.09
    32   1     0.01  -0.13   0.33    -0.01   0.04  -0.09     0.01   0.08  -0.25
    33   1     0.08   0.36  -0.13     0.01  -0.11   0.04    -0.09  -0.25   0.09
    34   1     0.06   0.11   0.31    -0.02  -0.05  -0.16     0.02   0.08   0.24
    35   1    -0.08  -0.34  -0.12     0.01   0.17   0.06    -0.02  -0.26  -0.09
    36   1     0.02  -0.02  -0.09    -0.12   0.05   0.34     0.07  -0.05  -0.24
    37   1    -0.05   0.08   0.03     0.29  -0.24  -0.13    -0.18   0.20   0.09
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.4186               750.5760               762.8613
 Red. masses --      1.3993                 1.4003                 1.4761
 Frc consts  --      0.4643                 0.4648                 0.5061
 IR Inten    --      5.4075                 5.3568                17.8416
 RamAct Fr= 1--      0.4946                 0.4619                 0.0009
  Dep-P Fr= 1--      0.7499                 0.7494                 0.6529
  Dep-U Fr= 1--      0.8571                 0.8568                 0.7900
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0706                 0.0660                 0.0001
 AlphaG Fr= 1--      0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--      3.7164                 3.5705                 0.0027
 Delta2 Fr= 1--     -0.1199                -0.1107                -0.0005
 Raman1 Fr= 1--       1.978                  1.848                  0.004
 ROA1   Fr= 1--     352.935                339.225                  0.246
 CID1   Fr= 1--     178.409                183.602                 69.345
 Raman2 Fr= 1--       0.848                  0.791                  0.001
 ROA2   Fr= 1--      90.153                 86.578                  0.070
 CID2   Fr= 1--     106.340                109.386                 49.544
 Raman3 Fr= 1--       1.696                  1.583                  0.003
 ROA3   Fr= 1--     352.935                339.225                  0.246
 CID3   Fr= 1--     208.152                214.294                 87.778
 RC180  Fr= 1--       0.714                  0.714                  0.580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.01  -0.00  -0.02    -0.03  -0.01   0.02
     2   6     0.01  -0.01  -0.03    -0.00  -0.02  -0.01    -0.02   0.02   0.02
     3   7    -0.02  -0.01   0.04    -0.05  -0.01   0.05     0.03  -0.01  -0.06
     4  45     0.01  -0.01   0.00     0.01   0.01  -0.00    -0.00   0.00   0.02
     5   7    -0.04   0.04   0.07     0.00   0.01   0.01     0.03  -0.00  -0.06
     6   7     0.01   0.03  -0.04    -0.00  -0.05   0.06    -0.02   0.03  -0.06
     7   6     0.01  -0.00   0.03    -0.02  -0.01  -0.01     0.02  -0.02   0.02
     8   6    -0.02  -0.01   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.02
     9   7    -0.04   0.04  -0.07     0.01   0.01   0.01    -0.00   0.03  -0.05
    10   7     0.01   0.03   0.02    -0.01  -0.05  -0.06    -0.02  -0.02  -0.06
    11   6    -0.01   0.01   0.01     0.02  -0.01   0.03     0.03   0.01   0.02
    12   6    -0.01   0.01  -0.00    -0.01   0.02   0.03     0.00   0.03   0.02
    13   7    -0.02  -0.02  -0.03    -0.05  -0.01  -0.06    -0.02  -0.03  -0.06
    14   1    -0.04  -0.03  -0.01     0.01  -0.04   0.05    -0.02   0.05  -0.08
    15   1     0.01   0.04   0.10     0.06  -0.01  -0.08    -0.07   0.02   0.14
    16   1     0.01   0.03  -0.05    -0.06   0.02  -0.02    -0.02   0.05  -0.08
    17   1     0.02   0.05   0.12     0.05   0.00  -0.04     0.04   0.06   0.14
    18   1    -0.05  -0.02  -0.04     0.03  -0.03  -0.03    -0.03  -0.04  -0.07
    19   1     0.04  -0.05   0.02    -0.02  -0.03   0.12     0.01  -0.07   0.15
    20   1     0.01   0.05   0.04    -0.03   0.02  -0.03    -0.04  -0.04  -0.08
    21   1     0.05  -0.03  -0.02    -0.03  -0.02   0.12    -0.07   0.01   0.15
    22   1    -0.03  -0.02   0.05     0.03  -0.05  -0.02     0.06  -0.01  -0.08
    23   1    -0.04  -0.03  -0.11    -0.00   0.05  -0.05     0.06   0.05   0.15
    24   1     0.03   0.04   0.01    -0.04   0.00   0.05     0.05  -0.01  -0.08
    25   1    -0.03  -0.02  -0.09    -0.02   0.06  -0.08     0.03  -0.06   0.15
    26   1    -0.08   0.11  -0.32     0.01   0.03  -0.02     0.04  -0.11   0.22
    27   1     0.27  -0.26   0.14     0.02  -0.05   0.02    -0.18   0.18  -0.10
    28   1    -0.06  -0.06  -0.16    -0.10  -0.05  -0.27     0.08   0.09   0.21
    29   1     0.20   0.10   0.08     0.30   0.11   0.11    -0.22  -0.10  -0.10
    30   1    -0.05  -0.03   0.16    -0.12   0.00   0.28    -0.11   0.02   0.21
    31   1     0.15   0.06  -0.06     0.34   0.08  -0.13     0.23   0.06  -0.10
    32   1     0.02   0.05  -0.15     0.02  -0.13   0.29     0.03  -0.11   0.22
    33   1    -0.04  -0.15   0.05     0.04   0.36  -0.13     0.03   0.25  -0.10
    34   1     0.06   0.07   0.18    -0.03  -0.10  -0.28     0.07   0.08   0.21
    35   1    -0.08  -0.22  -0.09     0.07   0.31   0.12    -0.06  -0.22  -0.10
    36   1    -0.12   0.06   0.33     0.03   0.01  -0.01    -0.11   0.02   0.20
    37   1     0.31  -0.24  -0.14    -0.04   0.00   0.02     0.18  -0.14  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    865.5689               865.6170               867.4004
 Red. masses --      3.2256                 3.2250                 3.1378
 Frc consts  --      1.4239                 1.4237                 1.3910
 IR Inten    --     10.9253                10.9127                 0.0045
 RamAct Fr= 1--      1.0956                 1.1025                11.0306
  Dep-P Fr= 1--      0.7463                 0.7487                 0.0443
  Dep-U Fr= 1--      0.8548                 0.8563                 0.0848
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.2209
 Beta2  Fr= 1--      0.1561                 0.1574                 0.1559
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.1450
 Gamma2 Fr= 1--      0.2833                 0.2449                -0.0384
 Delta2 Fr= 1--      0.5646                 0.5475                -2.5284
 Raman1 Fr= 1--       4.382                  4.410                 44.122
 ROA1   Fr= 1--      45.262                 41.028                -84.591
 CID1   Fr= 1--      10.329                  9.303                 -1.917
 Raman2 Fr= 1--       1.873                  1.888                  1.870
 ROA2   Fr= 1--       2.283                  1.498                 19.306
 CID2   Fr= 1--       1.219                  0.793                 10.322
 Raman3 Fr= 1--       3.746                  3.776                  3.741
 ROA3   Fr= 1--      45.262                 41.028                -84.591
 CID3   Fr= 1--      12.084                 10.864                -22.613
 RC180  Fr= 1--       0.710                  0.713                 -0.830
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.05     0.04   0.13  -0.12    -0.03  -0.11   0.09
     2   6    -0.02  -0.06  -0.06     0.00   0.15   0.11    -0.01  -0.11  -0.09
     3   7    -0.01   0.04  -0.01     0.04  -0.12   0.06    -0.03   0.09  -0.03
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7     0.05   0.06   0.04    -0.07  -0.09  -0.05     0.06   0.07   0.03
     6   7    -0.06   0.01   0.02    -0.12   0.02   0.06    -0.10   0.02   0.04
     7   6     0.08   0.02   0.08     0.13   0.01   0.10     0.11   0.02   0.09
     8   6     0.08   0.05  -0.06     0.12   0.05  -0.11     0.10   0.05  -0.09
     9   7    -0.06  -0.06  -0.04    -0.07  -0.07  -0.04    -0.07  -0.07  -0.03
    10   7    -0.13   0.03   0.06     0.03  -0.00  -0.01     0.09  -0.02  -0.03
    11   6     0.13  -0.09   0.13    -0.02  -0.00   0.00    -0.09   0.06  -0.09
    12   6     0.10  -0.13  -0.13    -0.01  -0.01   0.02    -0.07   0.08   0.08
    13   7    -0.05   0.13  -0.06     0.00   0.01  -0.01     0.04  -0.09   0.04
    14   1     0.03   0.03  -0.18     0.04   0.07  -0.36     0.04   0.07  -0.30
    15   1    -0.00   0.03  -0.05    -0.05   0.04  -0.03    -0.05   0.03  -0.03
    16   1     0.05  -0.02   0.25     0.06  -0.01   0.29     0.07  -0.03   0.28
    17   1    -0.01  -0.05   0.01     0.02  -0.04   0.07    -0.01  -0.05   0.04
    18   1     0.09  -0.01   0.41     0.01   0.01   0.02    -0.08   0.00  -0.29
    19   1     0.03   0.07   0.05    -0.02   0.02  -0.03    -0.00  -0.06  -0.03
    20   1     0.03  -0.08  -0.38     0.01   0.02   0.07    -0.01   0.07   0.27
    21   1    -0.05  -0.04  -0.07     0.03  -0.01  -0.02     0.05   0.02   0.04
    22   1     0.03  -0.04  -0.21    -0.02   0.07   0.33     0.04  -0.07  -0.28
    23   1     0.04   0.02   0.00    -0.06   0.01   0.06     0.05   0.02  -0.04
    24   1    -0.01  -0.03   0.12     0.06   0.06  -0.37    -0.06  -0.05   0.29
    25   1    -0.03  -0.01   0.05     0.05  -0.04  -0.04    -0.04   0.04   0.03
    26   1     0.04   0.04  -0.01    -0.06  -0.09   0.02     0.06   0.08   0.01
    27   1     0.10   0.08   0.04    -0.16  -0.19  -0.04     0.11   0.15   0.03
    28   1    -0.00   0.05   0.00     0.03  -0.11  -0.02    -0.02   0.09  -0.01
    29   1    -0.02   0.11  -0.01     0.10  -0.24   0.06    -0.05   0.18  -0.03
    30   1    -0.05   0.11   0.02     0.01  -0.00   0.00     0.04  -0.09   0.01
    31   1    -0.08   0.27  -0.06     0.02  -0.00  -0.01     0.07  -0.17   0.03
    32   1    -0.11   0.04  -0.02     0.01   0.00   0.01     0.09  -0.03  -0.01
    33   1    -0.28   0.05   0.05     0.03   0.02  -0.02     0.17  -0.05  -0.03
    34   1    -0.06   0.00  -0.01    -0.10   0.01  -0.02    -0.10   0.01   0.01
    35   1    -0.15   0.02   0.02    -0.23   0.07   0.06    -0.19   0.03   0.03
    36   1    -0.05  -0.05   0.02    -0.08  -0.06   0.02    -0.07  -0.07  -0.01
    37   1    -0.09  -0.14  -0.04    -0.15  -0.16  -0.04    -0.14  -0.13  -0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    870.7715               872.6946               872.8134
 Red. masses --      2.6872                 2.4828                 2.4837
 Frc consts  --      1.2005                 1.1141                 1.1148
 IR Inten    --      5.7806                 0.1139                 0.1372
 RamAct Fr= 1--      0.0235                 2.7743                 2.7449
  Dep-P Fr= 1--      0.4785                 0.7496                 0.7472
  Dep-U Fr= 1--      0.6473                 0.8569                 0.8553
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0025                 0.3962                 0.3913
 AlphaG Fr= 1--     -0.0001                -0.0001                -0.0000
 Gamma2 Fr= 1--     -0.0107                -1.4095                -1.2697
 Delta2 Fr= 1--     -0.0046                -0.4359                -0.3794
 Raman1 Fr= 1--       0.094                 11.097                 10.980
 ROA1   Fr= 1--      -1.178               -149.262               -134.027
 CID1   Fr= 1--     -12.560                -13.450                -12.207
 Raman2 Fr= 1--       0.030                  4.755                  4.696
 ROA2   Fr= 1--      -0.220                -30.342                -27.437
 CID2   Fr= 1--      -7.260                 -6.381                 -5.843
 Raman3 Fr= 1--       0.061                  9.509                  9.391
 ROA3   Fr= 1--      -1.178               -149.262               -134.027
 CID3   Fr= 1--     -19.405                -15.696                -14.272
 RC180  Fr= 1--       0.295                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.03  -0.01  -0.00     0.12  -0.02   0.07
     2   6     0.07  -0.02   0.05    -0.03  -0.01  -0.03     0.11  -0.03   0.06
     3   7    -0.03   0.08  -0.06     0.01  -0.02   0.01    -0.07   0.13  -0.06
     4  45    -0.00   0.00   0.01    -0.00  -0.01   0.00     0.01  -0.00   0.00
     5   7    -0.06  -0.06  -0.06     0.04   0.03   0.01    -0.11  -0.08  -0.06
     6   7     0.10  -0.03  -0.07    -0.08   0.03   0.04    -0.09   0.04   0.03
     7   6    -0.03   0.08   0.06     0.02  -0.08  -0.05     0.04  -0.07  -0.04
     8   6    -0.02   0.09   0.06     0.01  -0.08  -0.03     0.03  -0.07  -0.05
     9   7    -0.07  -0.08  -0.07     0.05   0.09   0.04     0.04   0.07   0.04
    10   7     0.10  -0.02  -0.06     0.14  -0.00  -0.06    -0.04  -0.00   0.01
    11   6    -0.06  -0.06   0.05    -0.08  -0.08   0.06     0.03   0.00   0.00
    12   6    -0.05  -0.06   0.06    -0.07  -0.09   0.06     0.03   0.01  -0.02
    13   7    -0.03   0.09  -0.06    -0.02   0.14  -0.05     0.00  -0.01   0.01
    14   1    -0.00  -0.11   0.27    -0.01   0.08  -0.22     0.00   0.10  -0.28
    15   1     0.16   0.02  -0.15    -0.12   0.00   0.18    -0.15  -0.00   0.18
    16   1     0.07  -0.08   0.29    -0.07   0.08  -0.30    -0.04   0.06  -0.22
    17   1    -0.14  -0.08  -0.15     0.12   0.09   0.18     0.09   0.07   0.18
    18   1     0.08   0.04   0.25     0.11   0.07   0.37     0.00  -0.01  -0.02
    19   1    -0.09   0.11  -0.14    -0.10   0.17  -0.25     0.00  -0.01   0.06
    20   1     0.03   0.10   0.27     0.05   0.12   0.36    -0.01  -0.05  -0.13
    21   1     0.13  -0.08  -0.14     0.17  -0.07  -0.25    -0.06   0.03   0.05
    22   1    -0.07   0.05   0.23     0.04  -0.03  -0.15    -0.11   0.06   0.36
    23   1    -0.05  -0.13  -0.12     0.03   0.07   0.06    -0.10  -0.17  -0.26
    24   1    -0.09  -0.02   0.23     0.01  -0.01  -0.04    -0.14  -0.02   0.39
    25   1     0.00   0.13  -0.12     0.01  -0.02   0.07    -0.02   0.20  -0.26
    26   1    -0.03  -0.00   0.03     0.04   0.01   0.04    -0.07   0.04  -0.08
    27   1    -0.12   0.04  -0.08     0.02   0.03   0.01    -0.07   0.00  -0.07
    28   1    -0.02   0.01   0.03     0.01   0.03   0.01    -0.09   0.00  -0.09
    29   1    -0.13   0.01  -0.08     0.02   0.02   0.02    -0.06   0.03  -0.07
    30   1     0.02   0.02   0.02     0.07   0.05  -0.09    -0.02   0.02   0.01
    31   1     0.10   0.08  -0.09     0.03   0.06  -0.06    -0.02   0.01   0.01
    32   1     0.03   0.02   0.02     0.04   0.07  -0.09    -0.04  -0.01   0.04
    33   1     0.08   0.11  -0.09     0.05   0.04  -0.07    -0.03   0.02   0.01
    34   1     0.01  -0.03   0.01     0.02   0.06   0.05    -0.02   0.06   0.08
    35   1     0.02  -0.13  -0.09    -0.01   0.04   0.05    -0.03   0.02   0.04
    36   1     0.01  -0.04   0.02    -0.02   0.07   0.07    -0.04   0.04   0.06
    37   1     0.06  -0.13  -0.09     0.02   0.05   0.04    -0.01   0.04   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --    982.2636               983.2499               983.4669
 Red. masses --      2.1967                 2.2058                 2.2003
 Frc consts  --      1.2488                 1.2565                 1.2539
 IR Inten    --      3.4569                 3.4396                 3.7059
 RamAct Fr= 1--      0.0343                 3.6622                 3.7109
  Dep-P Fr= 1--      0.7490                 0.7497                 0.7500
  Dep-U Fr= 1--      0.8565                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0049                 0.5231                 0.5301
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0228                 1.7946                 2.0031
 Delta2 Fr= 1--      0.0094                 1.0163                 1.0665
 Raman1 Fr= 1--       0.137                 14.649                 14.843
 ROA1   Fr= 1--       2.492                204.807                226.425
 CID1   Fr= 1--      18.153                 13.981                 15.254
 Raman2 Fr= 1--       0.059                  6.277                  6.361
 ROA2   Fr= 1--       0.472                 34.941                 39.542
 CID2   Fr= 1--       8.034                  5.567                  6.216
 Raman3 Fr= 1--       0.118                 12.554                 12.723
 ROA3   Fr= 1--       2.492                204.807                226.425
 CID3   Fr= 1--      21.195                 16.314                 17.797
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.10   0.00     0.02   0.10   0.01    -0.04  -0.14   0.00
     2   6     0.02   0.11   0.00    -0.01  -0.10  -0.01     0.03   0.15  -0.00
     3   7     0.00  -0.05  -0.00    -0.00   0.05  -0.00     0.00  -0.07   0.00
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.02   0.04  -0.00    -0.02  -0.04  -0.00     0.03   0.06   0.00
     6   7    -0.06  -0.00   0.00    -0.08  -0.01   0.00    -0.00  -0.00   0.00
     7   6     0.13   0.04   0.00     0.15   0.05  -0.00     0.01   0.01  -0.01
     8   6    -0.12  -0.05   0.00    -0.15  -0.06   0.00    -0.00  -0.01   0.01
     9   7     0.05   0.03   0.00     0.06   0.04   0.00     0.00   0.00   0.00
    10   7    -0.05   0.02  -0.00     0.04  -0.02  -0.00     0.06  -0.03  -0.00
    11   6     0.09  -0.08   0.00    -0.07   0.06   0.01    -0.11   0.09  -0.00
    12   6    -0.09   0.08   0.00     0.06  -0.06  -0.01     0.11  -0.09   0.00
    13   7     0.03  -0.04  -0.00    -0.03   0.04  -0.00    -0.04   0.06  -0.00
    14   1    -0.15  -0.24   0.09    -0.17  -0.29   0.10    -0.00   0.01  -0.01
    15   1     0.10  -0.07  -0.16     0.11  -0.09  -0.20    -0.03  -0.02   0.00
    16   1     0.27  -0.11   0.09     0.32  -0.12   0.11     0.04  -0.03   0.02
    17   1    -0.04  -0.12  -0.16    -0.04  -0.14  -0.21    -0.04  -0.02  -0.03
    18   1     0.26  -0.00   0.08    -0.21  -0.00  -0.07    -0.29   0.01  -0.08
    19   1     0.01   0.11  -0.14     0.01  -0.10   0.13    -0.04  -0.12   0.17
    20   1    -0.04   0.26   0.09     0.03  -0.17  -0.05     0.04  -0.32  -0.10
    21   1     0.11   0.02  -0.15    -0.06  -0.04   0.10    -0.15  -0.02   0.19
    22   1    -0.12   0.20   0.08     0.08  -0.17  -0.05    -0.16   0.29   0.10
    23   1    -0.09  -0.05  -0.13     0.08   0.00   0.11    -0.13  -0.07  -0.20
    24   1    -0.18  -0.14   0.07     0.19   0.14  -0.08    -0.23  -0.19   0.09
    25   1    -0.07   0.07  -0.13     0.06  -0.10   0.14    -0.10   0.08  -0.18
    26   1     0.04   0.09  -0.01    -0.04  -0.13   0.02     0.04   0.11  -0.04
    27   1     0.05   0.14  -0.01    -0.04  -0.09   0.00     0.10   0.19  -0.01
    28   1    -0.00  -0.11  -0.01     0.00   0.06   0.02    -0.01  -0.17  -0.04
    29   1    -0.01  -0.14  -0.01    -0.01   0.16   0.01     0.01  -0.18  -0.01
    30   1     0.08  -0.10  -0.01    -0.03   0.04   0.02    -0.11   0.13   0.04
    31   1     0.10  -0.12  -0.01    -0.08   0.12   0.01    -0.09   0.14   0.01
    32   1    -0.10   0.06  -0.01     0.10  -0.07   0.02     0.09  -0.06   0.04
    33   1    -0.14   0.09  -0.01     0.08  -0.04   0.00     0.19  -0.09   0.01
    34   1    -0.13  -0.02  -0.02    -0.16  -0.03  -0.04    -0.06  -0.01  -0.00
    35   1    -0.17  -0.03  -0.01    -0.21  -0.01  -0.01     0.02  -0.00   0.00
    36   1     0.11   0.06  -0.01     0.13   0.07  -0.04    -0.04  -0.02  -0.00
    37   1     0.16   0.08  -0.01     0.18   0.12  -0.01     0.04   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    996.8252               997.2795              1009.6920
 Red. masses --      1.2460                 1.2452                 1.2697
 Frc consts  --      0.7295                 0.7297                 0.7626
 IR Inten    --      9.0990                 9.4826                 0.0002
 RamAct Fr= 1--      0.1460                 0.1253                 1.0972
  Dep-P Fr= 1--      0.7433                 0.7499                 0.0634
  Dep-U Fr= 1--      0.8528                 0.8571                 0.1193
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0210
 Beta2  Fr= 1--      0.0207                 0.0179                 0.0218
 AlphaG Fr= 1--     -0.0001                 0.0000                -0.2810
 Gamma2 Fr= 1--      1.5314                 1.4909                -1.3332
 Delta2 Fr= 1--      0.2159                 0.1640                 0.3572
 Raman1 Fr= 1--       0.584                  0.501                  4.389
 ROA1   Fr= 1--     153.917                148.378               -116.556
 CID1   Fr= 1--     263.636                295.987                -26.558
 Raman2 Fr= 1--       0.249                  0.215                  0.262
 ROA2   Fr= 1--      35.026                 34.471                -34.855
 CID2   Fr= 1--     140.701                160.456               -133.138
 Raman3 Fr= 1--       0.498                  0.430                  0.524
 ROA3   Fr= 1--     153.917                148.378               -116.556
 CID3   Fr= 1--     309.150                345.340               -222.613
 RC180  Fr= 1--       0.706                  0.714                 -0.761
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.02     0.05  -0.02  -0.03     0.05  -0.02  -0.03
     2   6    -0.04   0.01   0.02    -0.06  -0.01   0.03    -0.05  -0.00   0.03
     3   7     0.01  -0.00  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.00
     4  45    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02   0.00   0.00
     6   7    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
     7   6     0.01  -0.07   0.04     0.01   0.02  -0.00    -0.00   0.05  -0.03
     8   6    -0.05   0.06  -0.03    -0.00  -0.01   0.01     0.03  -0.04   0.03
     9   7     0.00  -0.02   0.00    -0.00   0.00  -0.01    -0.00   0.02  -0.00
    10   7    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    11   6     0.00   0.03   0.01    -0.03  -0.06  -0.03     0.02   0.05   0.03
    12   6    -0.01  -0.02  -0.01     0.06   0.04   0.03    -0.04  -0.03  -0.03
    13   7     0.00   0.01   0.01    -0.01  -0.01   0.00     0.01   0.01   0.00
    14   1    -0.05  -0.20   0.15    -0.01   0.00  -0.01     0.03   0.14  -0.10
    15   1     0.27   0.11  -0.11    -0.03  -0.02   0.01    -0.18  -0.08   0.08
    16   1    -0.14   0.12  -0.14     0.06  -0.04   0.04     0.11  -0.09   0.10
    17   1     0.28   0.07   0.10    -0.06  -0.02  -0.03    -0.19  -0.05  -0.08
    18   1    -0.10  -0.02  -0.06     0.17   0.05   0.14    -0.14  -0.04  -0.10
    19   1     0.08  -0.07   0.05    -0.22   0.17  -0.10     0.16  -0.12   0.08
    20   1     0.01   0.03   0.03    -0.03  -0.19  -0.14     0.02   0.14   0.10
    21   1     0.06  -0.07  -0.03    -0.20   0.20   0.10     0.14  -0.15  -0.08
    22   1     0.07  -0.06  -0.08     0.12  -0.13  -0.12     0.10  -0.10  -0.10
    23   1     0.02   0.18   0.06     0.03   0.23   0.09     0.02   0.20   0.08
    24   1    -0.14  -0.06   0.11    -0.12  -0.04   0.10    -0.13  -0.05   0.10
    25   1     0.05   0.19  -0.08     0.06   0.21  -0.08     0.06   0.20  -0.08
    26   1     0.06   0.22  -0.02     0.05   0.23  -0.03     0.05   0.23  -0.04
    27   1    -0.08  -0.11   0.01    -0.07  -0.17   0.03    -0.06  -0.16   0.02
    28   1     0.03   0.19   0.02     0.04   0.26   0.02     0.04   0.23   0.04
    29   1    -0.01  -0.16  -0.02     0.03  -0.16  -0.01    -0.01  -0.17  -0.02
    30   1     0.07  -0.06  -0.01    -0.23   0.22   0.03     0.17  -0.16  -0.04
    31   1    -0.07   0.06   0.02     0.11  -0.18  -0.02    -0.11   0.13   0.02
    32   1     0.10  -0.08   0.01    -0.24   0.19  -0.03     0.18  -0.15   0.04
    33   1    -0.07   0.01   0.00     0.19  -0.10   0.03    -0.14   0.09  -0.02
    34   1     0.31   0.09   0.03    -0.08  -0.02  -0.00    -0.22  -0.07  -0.04
    35   1    -0.23  -0.02  -0.03     0.03  -0.02  -0.01     0.17   0.03   0.02
    36   1     0.31   0.12  -0.03    -0.03  -0.01   0.01    -0.21  -0.08   0.04
    37   1    -0.18  -0.13   0.02     0.06   0.01  -0.01     0.15   0.08  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1047.5131              1047.6047              1050.7942
 Red. masses --      3.1933                 3.1927                 3.1353
 Frc consts  --      2.0645                 2.0645                 2.0397
 IR Inten    --     68.9239                68.6282                 0.0195
 RamAct Fr= 1--      0.1626                 0.1622                 2.7243
  Dep-P Fr= 1--      0.7495                 0.7494                 0.5786
  Dep-U Fr= 1--      0.8568                 0.8568                 0.7330
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0088
 Beta2  Fr= 1--      0.0232                 0.0232                 0.3328
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0251
 Gamma2 Fr= 1--      0.8160                 0.8019                -1.9689
 Delta2 Fr= 1--      0.4906                 0.4931                 1.8933
 Raman1 Fr= 1--       0.650                  0.649                 10.897
 ROA1   Fr= 1--      94.032                 92.767               -128.426
 CID1   Fr= 1--     144.582                142.961                -11.785
 Raman2 Fr= 1--       0.279                  0.278                  3.994
 ROA2   Fr= 1--      15.658                 15.302                -62.400
 CID2   Fr= 1--      56.196                 55.047                -15.623
 Raman3 Fr= 1--       0.557                  0.556                  7.988
 ROA3   Fr= 1--      94.032                 92.767               -128.426
 CID3   Fr= 1--     168.741                166.860                -16.077
 RC180  Fr= 1--       0.714                  0.714                  0.466
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.06     0.10   0.06   0.17     0.08   0.05   0.13
     2   6    -0.03   0.03  -0.06    -0.07   0.09  -0.17    -0.05   0.07  -0.13
     3   7     0.01  -0.04   0.01     0.03  -0.11   0.01     0.03  -0.08   0.01
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.03  -0.04  -0.00    -0.07  -0.09  -0.01    -0.06  -0.07  -0.01
     6   7    -0.12   0.02   0.01    -0.02   0.00   0.00     0.08  -0.01  -0.01
     7   6     0.11  -0.06  -0.18     0.01  -0.01  -0.03    -0.07   0.04   0.12
     8   6     0.05   0.11   0.18     0.01   0.02   0.03    -0.03  -0.08  -0.12
     9   7    -0.09  -0.09  -0.01    -0.01  -0.02  -0.00     0.06   0.06   0.01
    10   7    -0.08   0.02   0.01     0.09  -0.03  -0.01    -0.09   0.02   0.01
    11   6     0.08   0.01  -0.11    -0.09  -0.01   0.14     0.09   0.01  -0.13
    12   6     0.00  -0.07   0.11    -0.01   0.10  -0.14     0.00  -0.09   0.13
    13   7    -0.03   0.07  -0.01     0.04  -0.09   0.01    -0.03   0.08  -0.01
    14   1     0.11   0.10   0.35     0.02   0.03   0.06    -0.08  -0.08  -0.26
    15   1     0.13   0.15   0.22     0.01   0.02   0.02    -0.09  -0.10  -0.15
    16   1     0.15  -0.02  -0.35     0.01   0.00  -0.05    -0.11   0.01   0.26
    17   1     0.19  -0.04  -0.22     0.04  -0.01  -0.04    -0.14   0.03   0.15
    18   1     0.10  -0.03  -0.22    -0.10   0.03   0.27     0.11  -0.03  -0.26
    19   1     0.11  -0.02  -0.13    -0.16   0.03   0.18     0.14  -0.03  -0.15
    20   1     0.03  -0.07   0.21    -0.05   0.12  -0.28     0.05  -0.11   0.27
    21   1     0.04  -0.12   0.14    -0.04   0.14  -0.17     0.04  -0.13   0.15
    22   1    -0.01   0.04  -0.12    -0.04   0.14  -0.33    -0.03   0.11  -0.27
    23   1    -0.03   0.08  -0.09    -0.06   0.17  -0.20    -0.05   0.14  -0.15
    24   1     0.04   0.05   0.13     0.08   0.11   0.33     0.07   0.09   0.27
    25   1     0.04   0.04   0.07     0.12   0.13   0.20     0.10   0.11   0.15
    26   1    -0.03  -0.03  -0.02    -0.06  -0.03  -0.04    -0.05  -0.02  -0.02
    27   1     0.01   0.07  -0.02    -0.00   0.15  -0.05    -0.01   0.09  -0.03
    28   1     0.02  -0.00   0.02     0.04  -0.06   0.04     0.03  -0.04   0.02
    29   1     0.03   0.04   0.02     0.06   0.15   0.05     0.04   0.07   0.03
    30   1     0.01   0.03  -0.03     0.01  -0.07   0.04     0.00   0.05  -0.02
    31   1     0.08  -0.04  -0.03    -0.12   0.07   0.04     0.08  -0.03  -0.03
    32   1    -0.06  -0.00   0.03     0.05   0.02  -0.04    -0.05  -0.01   0.02
    33   1     0.07  -0.08   0.03    -0.07   0.10  -0.04     0.04  -0.07   0.03
    34   1    -0.06   0.04   0.05     0.01   0.01   0.01     0.04  -0.03  -0.02
    35   1     0.14   0.08   0.05     0.01   0.01   0.01    -0.06  -0.05  -0.03
    36   1    -0.02  -0.07  -0.05    -0.02  -0.02  -0.01     0.01   0.05   0.02
    37   1     0.16   0.02  -0.05     0.03   0.01  -0.01    -0.08  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1108.4617              1117.7034              1118.3114
 Red. masses --      1.0212                 1.0268                 1.0266
 Frc consts  --      0.7393                 0.7557                 0.7565
 IR Inten    --      0.9199                 0.0040                 0.0027
 RamAct Fr= 1--      0.0050                 0.6567                 0.5780
  Dep-P Fr= 1--      0.6073                 0.7454                 0.7486
  Dep-U Fr= 1--      0.7557                 0.8541                 0.8562
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0006                 0.0935                 0.0825
 AlphaG Fr= 1--     -0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--     -0.0040                -1.3041                -1.2820
 Delta2 Fr= 1--     -0.0032                -0.5158                -0.5001
 Raman1 Fr= 1--       0.020                  2.627                  2.312
 ROA1   Fr= 1--      -0.491               -141.695               -139.078
 CID1   Fr= 1--     -24.687                -53.943                -60.156
 Raman2 Fr= 1--       0.008                  1.122                  0.990
 ROA2   Fr= 1--      -0.071                -27.171                -26.767
 CID2   Fr= 1--      -9.484                -24.221                -27.043
 Raman3 Fr= 1--       0.015                  2.244                  1.980
 ROA3   Fr= 1--      -0.491               -141.695               -139.078
 CID3   Fr= 1--     -32.668                -63.155                -70.256
 RC180  Fr= 1--       0.511                  0.708                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.01
     2   6     0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     3   7    -0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.00  -0.01
     4  45     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.01   0.00     0.01   0.01   0.01    -0.00  -0.01  -0.01
     6   7    -0.01  -0.00   0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.01
     7   6    -0.00   0.00  -0.00     0.01   0.00   0.01     0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01
    10   7    -0.01   0.01   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    13   7     0.01  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
    14   1     0.05   0.09   0.09    -0.07  -0.10  -0.09    -0.03  -0.04  -0.05
    15   1    -0.11  -0.13  -0.18     0.14   0.15   0.20     0.07   0.08   0.11
    16   1    -0.10   0.04   0.09     0.11  -0.03  -0.09     0.07  -0.03  -0.05
    17   1     0.16  -0.04  -0.18    -0.20   0.04   0.20    -0.11   0.02   0.10
    18   1    -0.10   0.00   0.09    -0.02  -0.00   0.00    -0.14   0.01   0.11
    19   1     0.15  -0.03  -0.17     0.01  -0.00  -0.00     0.23  -0.05  -0.24
    20   1     0.02  -0.10   0.09     0.00   0.01   0.00     0.03  -0.14   0.11
    21   1    -0.04   0.15  -0.17    -0.00   0.01  -0.02    -0.08   0.22  -0.24
    22   1     0.05  -0.09   0.09     0.05  -0.10   0.09    -0.04   0.07  -0.05
    23   1    -0.06   0.15  -0.17    -0.06   0.19  -0.20     0.04  -0.11   0.11
    24   1     0.08   0.06   0.09     0.10   0.08   0.09    -0.04  -0.04  -0.05
    25   1    -0.11  -0.11  -0.17    -0.13  -0.16  -0.20     0.08   0.09   0.12
    26   1    -0.08  -0.26   0.01    -0.10  -0.32  -0.00     0.05   0.18   0.00
    27   1     0.09   0.09   0.00     0.11   0.17  -0.00    -0.08  -0.09  -0.00
    28   1     0.02   0.27   0.01     0.03   0.32  -0.00    -0.02  -0.20  -0.00
    29   1     0.05  -0.12   0.00     0.05  -0.19  -0.00    -0.01   0.12   0.01
    30   1    -0.18   0.20   0.01    -0.01   0.01  -0.00    -0.26   0.28  -0.00
    31   1     0.03  -0.12   0.00    -0.01  -0.01   0.00     0.10  -0.21  -0.00
    32   1     0.22  -0.15   0.01     0.02  -0.01   0.00     0.31  -0.22  -0.00
    33   1    -0.13   0.01   0.00    -0.01   0.02  -0.00    -0.22   0.07  -0.00
    34   1     0.28   0.06   0.01    -0.31  -0.07   0.00    -0.17  -0.04  -0.00
    35   1    -0.13   0.04   0.00     0.19  -0.02   0.00     0.11   0.01   0.01
    36   1    -0.26  -0.12   0.01     0.30   0.13   0.00     0.15   0.07   0.01
    37   1     0.08   0.11  -0.00    -0.16  -0.13   0.01    -0.07  -0.08  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1171.7747              1172.1504              1193.0513
 Red. masses --      1.0716                 1.0712                 1.0616
 Frc consts  --      0.8669                 0.8671                 0.8903
 IR Inten    --     69.5740                69.4777                 0.0021
 RamAct Fr= 1--     10.3941                10.3214                 7.9118
  Dep-P Fr= 1--      0.7500                 0.7499                 0.1838
  Dep-U Fr= 1--      0.8571                 0.8571                 0.3105
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1121
 Beta2  Fr= 1--      1.4849                 1.4744                 0.4095
 AlphaG Fr= 1--      0.0000                -0.0000                -0.1001
 Gamma2 Fr= 1--      0.9597                 0.8917                 1.4812
 Delta2 Fr= 1--      6.2435                 6.2003                -4.9955
 Raman1 Fr= 1--      41.576                 41.286                 31.647
 ROA1   Fr= 1--     291.921                284.010                -17.665
 CID1   Fr= 1--       7.021                  6.879                 -0.558
 Raman2 Fr= 1--      17.818                 17.693                  4.914
 ROA2   Fr= 1--     -26.916                -28.202                 75.512
 CID2   Fr= 1--      -1.511                 -1.594                 15.368
 Raman3 Fr= 1--      35.637                 35.385                  9.827
 ROA3   Fr= 1--     291.921                284.010                -17.665
 CID3   Fr= 1--       8.192                  8.026                 -1.798
 RC180  Fr= 1--       0.714                  0.714                 -0.379
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   7    -0.00  -0.01  -0.00    -0.00  -0.04  -0.02     0.00  -0.02  -0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00  -0.01   0.01    -0.01  -0.03   0.02    -0.01  -0.02   0.01
     6   7    -0.03  -0.01  -0.02    -0.00  -0.00  -0.00     0.02  -0.00   0.01
     7   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.01
     9   7    -0.03  -0.01   0.02    -0.01  -0.00   0.00     0.02   0.02  -0.01
    10   7    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.02   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    12   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    13   7    -0.01   0.02   0.01     0.02  -0.02  -0.01    -0.01   0.02   0.01
    14   1    -0.13  -0.18  -0.24    -0.03  -0.04  -0.05     0.10   0.15   0.17
    15   1     0.02   0.02   0.02    -0.00   0.00   0.00    -0.02  -0.01  -0.02
    16   1    -0.22   0.07   0.24    -0.04   0.01   0.05     0.17  -0.06  -0.17
    17   1     0.02   0.00  -0.01     0.01   0.00  -0.00    -0.02   0.00   0.02
    18   1    -0.16   0.01   0.17     0.17  -0.02  -0.18    -0.18   0.01   0.17
    19   1     0.01  -0.00  -0.01    -0.02   0.01   0.01     0.02  -0.01  -0.02
    20   1    -0.04   0.15  -0.16     0.04  -0.17   0.18    -0.04   0.18  -0.17
    21   1     0.01  -0.02   0.01    -0.01   0.01  -0.01     0.01  -0.02   0.02
    22   1     0.03  -0.07   0.07     0.09  -0.20   0.24     0.08  -0.16   0.17
    23   1     0.00   0.01  -0.00    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    24   1    -0.06  -0.05  -0.08    -0.16  -0.15  -0.23    -0.13  -0.12  -0.17
    25   1     0.00   0.00   0.00     0.01   0.02   0.01     0.01   0.02   0.02
    26   1     0.02   0.08  -0.03     0.04   0.20  -0.10     0.03   0.15  -0.06
    27   1     0.03   0.15  -0.02     0.08   0.35  -0.04     0.07   0.26  -0.03
    28   1     0.01   0.06   0.03     0.04   0.21   0.11     0.03   0.15   0.06
    29   1     0.01   0.10   0.01     0.07   0.38   0.04     0.03   0.27   0.03
    30   1     0.10  -0.09  -0.07    -0.13   0.11   0.08     0.11  -0.10  -0.06
    31   1     0.17  -0.17  -0.03    -0.23   0.21   0.04     0.19  -0.19  -0.03
    32   1     0.12  -0.10   0.08    -0.12   0.10  -0.08     0.11  -0.10   0.06
    33   1     0.22  -0.18   0.03    -0.21   0.17  -0.03     0.22  -0.17   0.03
    34   1     0.20   0.07   0.11     0.03   0.01   0.02    -0.14  -0.05  -0.06
    35   1     0.37   0.12   0.04     0.05   0.01   0.00    -0.27  -0.07  -0.03
    36   1     0.20   0.07  -0.11     0.05   0.02  -0.02    -0.14  -0.05   0.06
    37   1     0.35   0.13  -0.04     0.10   0.03  -0.01    -0.25  -0.11   0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1225.7487              1226.1536              1247.0729
 Red. masses --      1.2483                 1.2468                 1.2371
 Frc consts  --      1.1050                 1.1045                 1.1336
 IR Inten    --      0.0051                 0.0031                38.5500
 RamAct Fr= 1--      8.3347                 8.4459                 0.0020
  Dep-P Fr= 1--      0.7497                 0.7500                 0.4749
  Dep-U Fr= 1--      0.8569                 0.8571                 0.6440
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      1.1904                 1.2066                 0.0002
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -4.6592                -4.6768                -0.0023
 Delta2 Fr= 1--     -0.8752                -0.8663                -0.0005
 Raman1 Fr= 1--      33.339                 33.784                  0.008
 ROA1   Fr= 1--    -475.294               -476.700                 -0.236
 CID1   Fr= 1--     -14.256                -14.110                -28.882
 Raman2 Fr= 1--      14.285                 14.479                  0.003
 ROA2   Fr= 1--    -104.820               -105.313                 -0.050
 CID2   Fr= 1--      -7.338                 -7.274                -19.195
 Raman3 Fr= 1--      28.569                 28.957                  0.005
 ROA3   Fr= 1--    -475.294               -476.700                 -0.236
 CID3   Fr= 1--     -16.637                -16.462                -44.850
 RC180  Fr= 1--       0.714                  0.714                  0.288
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00  -0.03   0.02    -0.00  -0.03   0.01
     2   6    -0.01  -0.02  -0.01     0.00   0.04   0.02     0.01   0.03   0.01
     3   7     0.01   0.03   0.02    -0.00  -0.05  -0.03    -0.01  -0.04  -0.02
     4  45     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01  -0.03   0.02     0.01   0.05  -0.03     0.01   0.04  -0.02
     6   7    -0.05  -0.01  -0.04    -0.00   0.00   0.00    -0.04  -0.01  -0.02
     7   6     0.04   0.01   0.02     0.00  -0.01   0.00     0.03   0.01   0.01
     8   6    -0.04  -0.01   0.02    -0.00   0.01   0.00    -0.03  -0.01   0.01
     9   7     0.05   0.02  -0.04     0.00  -0.00  -0.00     0.04   0.01  -0.02
    10   7     0.02  -0.01   0.02     0.04  -0.03   0.03    -0.03   0.03  -0.02
    11   6    -0.02   0.01  -0.01    -0.02   0.03  -0.02     0.02  -0.02   0.01
    12   6     0.02  -0.01  -0.01     0.03  -0.03  -0.02    -0.02   0.02   0.01
    13   7    -0.02   0.02   0.02    -0.03   0.04   0.03     0.03  -0.03  -0.02
    14   1     0.02   0.04   0.16    -0.02  -0.03  -0.02     0.00   0.02   0.09
    15   1     0.00  -0.02  -0.01     0.01   0.01  -0.00     0.03   0.01   0.02
    16   1    -0.04   0.02   0.16    -0.03   0.01   0.02    -0.01   0.01   0.09
    17   1     0.01  -0.02  -0.01     0.01  -0.00   0.00    -0.03  -0.01   0.02
    18   1     0.05   0.00  -0.09     0.02   0.00  -0.13    -0.02  -0.01   0.09
    19   1    -0.02  -0.00   0.00    -0.01  -0.01   0.01    -0.03   0.02   0.02
    20   1     0.00  -0.01  -0.07    -0.01   0.06  -0.15    -0.00  -0.02   0.09
    21   1    -0.01  -0.00   0.01    -0.01  -0.02   0.01     0.02  -0.02   0.02
    22   1     0.00  -0.01  -0.07     0.03  -0.05   0.15     0.01  -0.01   0.09
    23   1     0.01   0.00   0.01    -0.02   0.01  -0.00    -0.00  -0.03   0.02
    24   1    -0.04  -0.03  -0.10     0.02   0.01   0.13     0.02   0.01   0.09
    25   1     0.01   0.01   0.00    -0.01   0.00  -0.01     0.01   0.03   0.02
    26   1     0.01   0.10  -0.07    -0.03  -0.18   0.14    -0.02  -0.12   0.07
    27   1     0.09   0.26  -0.02    -0.10  -0.38   0.03    -0.09  -0.35   0.04
    28   1    -0.03  -0.11  -0.08     0.04   0.17   0.13     0.02   0.11   0.07
    29   1    -0.04  -0.22  -0.02     0.04   0.42   0.03     0.05   0.36   0.04
    30   1     0.09  -0.07  -0.08     0.14  -0.11  -0.13    -0.09   0.08   0.07
    31   1     0.15  -0.14  -0.02     0.29  -0.32  -0.03    -0.26   0.25   0.04
    32   1    -0.07   0.07  -0.07    -0.13   0.13  -0.14     0.09  -0.08   0.07
    33   1    -0.22   0.14  -0.02    -0.32   0.24  -0.03     0.28  -0.22   0.04
    34   1     0.19   0.08   0.15    -0.01  -0.00  -0.01     0.12   0.04   0.08
    35   1     0.46   0.11   0.04     0.04  -0.01   0.00     0.35   0.10   0.04
    36   1    -0.20  -0.06   0.15    -0.01  -0.01   0.01    -0.11  -0.04   0.08
    37   1    -0.43  -0.19   0.04     0.01   0.02  -0.00    -0.34  -0.14   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1291.1171              1291.1475              1296.0330
 Red. masses --      1.4120                 1.4127                 1.3762
 Frc consts  --      1.3868                 1.3875                 1.3620
 IR Inten    --      0.5905                 0.6152                 0.0035
 RamAct Fr= 1--      1.5912                 1.5557                 4.3888
  Dep-P Fr= 1--      0.7413                 0.7484                 0.0455
  Dep-U Fr= 1--      0.8515                 0.8561                 0.0870
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0876
 Beta2  Fr= 1--      0.2258                 0.2220                 0.0637
 AlphaG Fr= 1--      0.0002                 0.0001                 0.0626
 Gamma2 Fr= 1--      1.8955                 1.8614                 1.2605
 Delta2 Fr= 1--      0.2471                 0.2347                 1.2102
 Raman1 Fr= 1--       6.365                  6.223                 17.555
 ROA1   Fr= 1--     189.876                186.207                159.734
 CID1   Fr= 1--      29.833                 29.923                  9.099
 Raman2 Fr= 1--       2.710                  2.664                  0.764
 ROA2   Fr= 1--      43.516                 42.796                 20.570
 CID2   Fr= 1--      16.060                 16.066                 26.927
 Raman3 Fr= 1--       5.419                  5.327                  1.528
 ROA3   Fr= 1--     189.876                186.207                159.734
 CID3   Fr= 1--      35.037                 34.952                104.549
 RC180  Fr= 1--       0.703                  0.712                 -0.826
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.02  -0.03    -0.07   0.02   0.03    -0.06   0.02   0.03
     2   6    -0.06   0.01   0.03     0.07  -0.01  -0.03     0.06  -0.01  -0.03
     3   7     0.02   0.01  -0.02    -0.02  -0.01   0.01    -0.02  -0.01   0.01
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01   0.02   0.01     0.02  -0.02  -0.02     0.02  -0.01  -0.02
     6   7     0.00  -0.01   0.01    -0.01  -0.03   0.02     0.00   0.02  -0.01
     7   6    -0.01   0.03  -0.02    -0.02   0.09  -0.04     0.02  -0.06   0.03
     8   6     0.02  -0.03   0.01     0.03  -0.08   0.04    -0.02   0.05  -0.03
     9   7    -0.01   0.01  -0.00    -0.03   0.02  -0.02     0.01  -0.01   0.01
    10   7     0.00   0.03   0.02     0.00   0.00   0.01     0.00   0.02   0.02
    11   6    -0.05  -0.07  -0.04    -0.01  -0.01  -0.01    -0.04  -0.05  -0.03
    12   6     0.06   0.06   0.04     0.01   0.01   0.00     0.05   0.05   0.03
    13   7    -0.03  -0.01  -0.02    -0.01   0.00   0.00    -0.02  -0.01  -0.02
    14   1     0.01   0.03  -0.05     0.04   0.08  -0.07    -0.01  -0.02   0.06
    15   1    -0.01   0.02   0.12    -0.06   0.02   0.29     0.03  -0.03  -0.22
    16   1     0.03  -0.01   0.01     0.09  -0.04   0.08    -0.03   0.01  -0.06
    17   1    -0.03  -0.02  -0.11    -0.02  -0.05  -0.29     0.01   0.04   0.22
    18   1     0.09   0.01   0.08     0.01  -0.00  -0.01     0.04   0.00   0.07
    19   1    -0.00   0.06  -0.29    -0.02   0.02  -0.04     0.01   0.05  -0.25
    20   1     0.01  -0.09  -0.07    -0.00  -0.02  -0.03     0.00  -0.04  -0.07
    21   1    -0.06   0.00   0.28    -0.00  -0.01   0.04    -0.05  -0.01   0.25
    22   1     0.03  -0.06  -0.04    -0.04   0.06   0.07    -0.02   0.03   0.07
    23   1     0.03   0.04   0.20    -0.04  -0.02  -0.23    -0.04  -0.02  -0.23
    24   1    -0.06  -0.04   0.07     0.06   0.04  -0.05     0.03   0.02  -0.06
    25   1    -0.03   0.03  -0.20     0.02  -0.05   0.22     0.03  -0.03   0.23
    26   1    -0.10  -0.25  -0.02     0.11   0.26   0.04     0.10   0.24   0.02
    27   1     0.10   0.11   0.01    -0.13  -0.14  -0.01    -0.11  -0.14  -0.01
    28   1     0.01  -0.25   0.03    -0.00   0.29  -0.03     0.00   0.26  -0.02
    29   1    -0.06   0.17  -0.01     0.06  -0.15   0.01     0.05  -0.17   0.01
    30   1     0.22  -0.29   0.04     0.04  -0.05  -0.00     0.17  -0.22   0.02
    31   1    -0.07   0.23  -0.01    -0.00   0.01  -0.00    -0.07   0.18  -0.01
    32   1     0.32  -0.18  -0.04     0.04  -0.02  -0.01     0.24  -0.14  -0.02
    33   1    -0.22   0.04   0.01    -0.06   0.01   0.00    -0.19   0.04   0.01
    34   1     0.14   0.01  -0.02     0.37   0.05  -0.04    -0.24  -0.03   0.02
    35   1    -0.11   0.03   0.01    -0.23   0.05   0.01     0.17  -0.02  -0.01
    36   1     0.13   0.08   0.01     0.31   0.19   0.04    -0.20  -0.12  -0.02
    37   1    -0.04  -0.05  -0.00    -0.15  -0.19  -0.01     0.12   0.12   0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.8475              1332.0743              1341.4251
 Red. masses --      1.1854                 1.1859                 1.1699
 Frc consts  --      1.2389                 1.2398                 1.2403
 IR Inten    --     25.1226                25.3078                 0.0075
 RamAct Fr= 1--      5.1920                 5.0926                 1.8761
  Dep-P Fr= 1--      0.7500                 0.7500                 0.1885
  Dep-U Fr= 1--      0.8571                 0.8571                 0.3173
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0263
 Beta2  Fr= 1--      0.7417                 0.7275                 0.0992
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0621
 Gamma2 Fr= 1--     -7.0566                -7.1784                 3.0881
 Delta2 Fr= 1--     -7.5457                -7.6269                 1.4757
 Raman1 Fr= 1--      20.768                 20.370                  7.505
 ROA1   Fr= 1--    -918.897               -933.186                343.682
 CID1   Fr= 1--     -44.246                -45.811                 45.797
 Raman2 Fr= 1--       8.900                  8.730                  1.190
 ROA2   Fr= 1--    -108.993               -111.266                 62.309
 CID2   Fr= 1--     -12.246                -12.745                 52.340
 Raman3 Fr= 1--      17.801                 17.460                  2.381
 ROA3   Fr= 1--    -918.897               -933.186                343.682
 CID3   Fr= 1--     -51.621                -53.446                144.347
 RC180  Fr= 1--       0.714                  0.714                 -0.365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01    -0.00   0.01  -0.04    -0.01   0.01  -0.03
     2   6    -0.00   0.00   0.01     0.01   0.01   0.04     0.01   0.01   0.03
     3   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.02    -0.02  -0.03  -0.01
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.01  -0.01   0.00     0.02  -0.05   0.02     0.01  -0.03   0.01
     6   7    -0.03  -0.04  -0.02    -0.01  -0.01  -0.01     0.02   0.03   0.01
     7   6     0.00   0.01   0.04     0.01  -0.00   0.01    -0.00  -0.01  -0.03
     8   6     0.01  -0.00  -0.04     0.00  -0.01  -0.01    -0.01   0.01   0.03
     9   7    -0.04   0.01   0.02    -0.02   0.01   0.00     0.03  -0.01  -0.01
    10   7    -0.01   0.04  -0.01     0.01  -0.03   0.01    -0.01   0.03  -0.01
    11   6    -0.00  -0.01   0.03    -0.01   0.01  -0.03    -0.00  -0.01   0.03
    12   6     0.01  -0.00  -0.03    -0.01  -0.00   0.03     0.01   0.00  -0.03
    13   7    -0.03   0.01   0.01     0.04  -0.00  -0.01    -0.04   0.01   0.01
    14   1     0.16   0.23   0.20     0.07   0.09   0.10    -0.12  -0.16  -0.15
    15   1    -0.10  -0.14  -0.23    -0.06  -0.07  -0.08     0.10   0.11   0.16
    16   1     0.29  -0.09  -0.24     0.06  -0.02  -0.03    -0.19   0.05   0.15
    17   1    -0.19   0.05   0.24    -0.02   0.01   0.06     0.15  -0.03  -0.16
    18   1     0.25  -0.03  -0.20    -0.18   0.01   0.12     0.20  -0.02  -0.15
    19   1    -0.17   0.03   0.19     0.10  -0.01  -0.16    -0.15   0.03   0.16
    20   1     0.04  -0.20   0.14    -0.05   0.22  -0.19     0.05  -0.20   0.15
    21   1    -0.02   0.11  -0.17     0.05  -0.15   0.18    -0.05   0.15  -0.16
    22   1    -0.02   0.03  -0.01    -0.13   0.28  -0.24    -0.08   0.18  -0.15
    23   1     0.01  -0.00   0.04     0.08  -0.18   0.25     0.05  -0.15   0.16
    24   1     0.06   0.07   0.09     0.22   0.20   0.22     0.14   0.13   0.15
    25   1    -0.05  -0.06  -0.07    -0.13  -0.13  -0.24    -0.10  -0.11  -0.16
    26   1     0.03   0.06  -0.01     0.08   0.19  -0.07     0.07   0.18  -0.04
    27   1    -0.02   0.02  -0.01    -0.00   0.16  -0.02     0.01   0.11  -0.02
    28   1     0.00   0.02   0.02     0.00   0.21   0.06     0.00   0.20   0.04
    29   1    -0.00   0.05   0.00     0.07   0.14   0.02     0.04   0.10   0.02
    30   1     0.09  -0.11  -0.05    -0.10   0.13   0.04     0.13  -0.16  -0.04
    31   1     0.10  -0.07  -0.01    -0.09   0.03   0.02     0.10  -0.06  -0.02
    32   1     0.15  -0.09   0.05    -0.10   0.06  -0.05     0.17  -0.10   0.04
    33   1     0.05  -0.10   0.02    -0.08   0.08  -0.01     0.07  -0.09   0.02
    34   1     0.21   0.03   0.06     0.04   0.01   0.03    -0.20  -0.03  -0.04
    35   1     0.12   0.09   0.02     0.06   0.01   0.00    -0.10  -0.05  -0.02
    36   1     0.17   0.09  -0.07     0.07   0.05  -0.01    -0.17  -0.09   0.04
    37   1     0.15   0.02  -0.02     0.04  -0.02  -0.01    -0.11  -0.02   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1346.2580              1348.4601              1348.5031
 Red. masses --      1.1927                 1.1917                 1.1913
 Frc consts  --      1.2736                 1.2767                 1.2764
 IR Inten    --     11.9941                 4.1926                 4.3316
 RamAct Fr= 1--      0.0255                10.6562                10.6006
  Dep-P Fr= 1--      0.6743                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8055                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0034                 1.5223                 1.5144
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0190                11.0892                11.8089
 Delta2 Fr= 1--      0.0061                 2.5808                 2.9583
 Raman1 Fr= 1--       0.102                 42.625                 42.403
 ROA1   Fr= 1--       2.023               1147.147               1228.318
 CID1   Fr= 1--      19.864                 26.913                 28.968
 Raman2 Fr= 1--       0.041                 18.267                 18.173
 ROA2   Fr= 1--       0.409                245.494                259.748
 CID2   Fr= 1--       9.960                 13.439                 14.293
 Raman3 Fr= 1--       0.082                 36.535                 36.345
 ROA3   Fr= 1--       2.023               1147.147               1228.318
 CID3   Fr= 1--      24.662                 31.399                 33.796
 RC180  Fr= 1--       0.611                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.01    -0.04  -0.00  -0.01     0.04   0.01   0.00
     2   6    -0.03   0.02  -0.01    -0.03   0.02  -0.00     0.03  -0.02   0.01
     3   7     0.03   0.01  -0.00     0.02   0.01  -0.00    -0.03  -0.02   0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.03  -0.00     0.02  -0.03  -0.00    -0.02   0.02   0.00
     6   7     0.01   0.03  -0.00    -0.02  -0.04   0.00    -0.01  -0.01  -0.00
     7   6     0.03  -0.03  -0.01    -0.03   0.04   0.01    -0.00   0.01   0.01
     8   6    -0.00  -0.04  -0.01     0.00   0.05   0.01     0.00   0.01  -0.00
     9   7    -0.03   0.02  -0.00     0.04  -0.02   0.00    -0.00  -0.00   0.00
    10   7    -0.00  -0.03  -0.00     0.00  -0.02   0.00    -0.00  -0.04  -0.00
    11   6     0.03   0.02  -0.01     0.02   0.01  -0.01     0.05   0.02  -0.01
    12   6     0.01   0.03  -0.01     0.00   0.02   0.00     0.02   0.05  -0.01
    13   7    -0.03  -0.01  -0.00    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00
    14   1     0.13   0.16   0.22    -0.18  -0.23  -0.28    -0.01  -0.02  -0.02
    15   1    -0.12  -0.11  -0.05     0.14   0.14   0.08     0.00   0.00  -0.01
    16   1    -0.20   0.05   0.22     0.26  -0.07  -0.27     0.08  -0.02  -0.08
    17   1     0.15  -0.01  -0.05    -0.18   0.02   0.07    -0.06   0.01   0.04
    18   1    -0.19   0.03   0.20    -0.12   0.02   0.12    -0.27   0.03   0.27
    19   1     0.14  -0.04  -0.05     0.09  -0.03  -0.04     0.18  -0.05  -0.07
    20   1     0.05  -0.18   0.21     0.02  -0.07   0.07     0.08  -0.28   0.28
    21   1    -0.06   0.13  -0.05    -0.01   0.04  -0.01    -0.08   0.19  -0.08
    22   1     0.07  -0.19   0.22     0.07  -0.16   0.17    -0.09   0.21  -0.23
    23   1    -0.03   0.15  -0.05    -0.03   0.11  -0.03     0.04  -0.16   0.07
    24   1     0.14   0.15   0.22     0.15   0.15   0.21    -0.14  -0.13  -0.19
    25   1    -0.09  -0.13  -0.05    -0.09  -0.12  -0.07     0.08   0.10   0.04
    26   1     0.09   0.20  -0.01     0.10   0.22  -0.01    -0.09  -0.19   0.01
    27   1    -0.08  -0.03  -0.01    -0.05   0.00  -0.01     0.06   0.02   0.01
    28   1     0.01  -0.22  -0.01     0.01  -0.18  -0.00    -0.00   0.26   0.01
    29   1    -0.06   0.06  -0.01    -0.05   0.04  -0.01     0.05  -0.02   0.01
    30   1     0.11  -0.16  -0.01     0.04  -0.06   0.00     0.19  -0.26  -0.01
    31   1     0.02   0.08  -0.01     0.00   0.04  -0.01     0.03   0.07  -0.02
    32   1    -0.18   0.09  -0.01    -0.13   0.07  -0.01    -0.27   0.15  -0.01
    33   1     0.08   0.02  -0.01     0.01   0.02  -0.01     0.07   0.04  -0.02
    34   1    -0.21  -0.02  -0.01     0.30   0.03   0.01     0.09   0.01   0.01
    35   1     0.06  -0.05  -0.01    -0.05   0.06   0.02     0.01   0.01   0.00
    36   1     0.19   0.12  -0.01    -0.28  -0.17   0.01    -0.01  -0.01  -0.00
    37   1    -0.02  -0.08  -0.01    -0.00   0.08   0.02     0.01   0.02   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.5241              1405.5276              1405.7048
 Red. masses --      1.2649                 1.2670                 1.2666
 Frc consts  --      1.4702                 1.4747                 1.4746
 IR Inten    --      0.0749                 1.3551                 1.3702
 RamAct Fr= 1--      0.0115                 2.6192                 2.4456
  Dep-P Fr= 1--      0.7491                 0.7479                 0.7500
  Dep-U Fr= 1--      0.8565                 0.8558                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0016                 0.3736                 0.3494
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0008                -3.3576                -3.1685
 Delta2 Fr= 1--      0.0008                -1.4053                -1.2921
 Raman1 Fr= 1--       0.046                 10.477                  9.783
 ROA1   Fr= 1--      -0.049               -367.297               -345.526
 CID1   Fr= 1--      -1.064                -35.058                -35.321
 Raman2 Fr= 1--       0.020                  4.483                  4.192
 ROA2   Fr= 1--      -0.025                -69.340                -65.708
 CID2   Fr= 1--      -1.263                -15.468                -15.673
 Raman3 Fr= 1--       0.039                  8.966                  8.385
 ROA3   Fr= 1--      -0.049               -367.297               -345.526
 CID3   Fr= 1--      -1.242                -40.967                -41.209
 RC180  Fr= 1--       0.713                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.04    -0.00  -0.01  -0.02     0.01   0.05   0.07
     2   6    -0.00  -0.03   0.04     0.00   0.01  -0.02    -0.01  -0.05   0.07
     3   7     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.02
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.01   0.00  -0.01    -0.01  -0.00   0.01     0.02   0.00  -0.02
     6   7    -0.01   0.01  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
     7   6    -0.04  -0.01   0.05    -0.04  -0.01   0.06     0.01   0.00  -0.02
     8   6     0.04   0.01   0.05     0.04   0.02   0.06    -0.01  -0.01  -0.02
     9   7     0.00   0.02  -0.02     0.00   0.02  -0.02    -0.00  -0.01   0.01
    10   7    -0.01  -0.00  -0.01     0.01   0.01   0.02     0.01   0.01   0.01
    11   6    -0.03   0.02   0.04     0.03  -0.02  -0.05     0.02  -0.02  -0.04
    12   6     0.02  -0.02   0.04    -0.03   0.03  -0.05    -0.02   0.02  -0.05
    13   7    -0.00  -0.01  -0.01     0.00   0.01   0.02     0.00   0.01   0.01
    14   1    -0.09  -0.12  -0.20    -0.10  -0.12  -0.25     0.03   0.04   0.07
    15   1    -0.16  -0.20  -0.21    -0.17  -0.23  -0.25     0.07   0.08   0.08
    16   1     0.14  -0.04  -0.20     0.16  -0.04  -0.24    -0.04   0.00   0.08
    17   1     0.25  -0.06  -0.21     0.28  -0.08  -0.26    -0.06   0.02   0.07
    18   1     0.13  -0.01  -0.17    -0.14   0.02   0.20    -0.11   0.02   0.18
    19   1     0.22  -0.04  -0.18    -0.26   0.04   0.22    -0.20   0.02   0.18
    20   1    -0.03   0.13  -0.17     0.04  -0.13   0.21     0.03  -0.12   0.17
    21   1    -0.07   0.21  -0.18     0.06  -0.23   0.21     0.06  -0.22   0.19
    22   1    -0.06   0.12  -0.17     0.01  -0.04   0.08    -0.07   0.16  -0.26
    23   1    -0.08   0.21  -0.18     0.03  -0.06   0.07    -0.12   0.30  -0.28
    24   1    -0.09  -0.09  -0.17     0.04   0.03   0.07    -0.12  -0.12  -0.27
    25   1    -0.15  -0.16  -0.18     0.07   0.08   0.08    -0.22  -0.22  -0.28
    26   1     0.04   0.08   0.02    -0.02  -0.05  -0.01     0.07   0.13   0.03
    27   1    -0.06  -0.08  -0.01     0.02   0.03   0.00    -0.07  -0.11  -0.01
    28   1     0.01  -0.09   0.02    -0.00   0.02  -0.01     0.01  -0.15   0.03
    29   1    -0.02   0.10  -0.01     0.01  -0.04   0.00    -0.02   0.13  -0.01
    30   1     0.05  -0.08   0.02    -0.06   0.09  -0.02    -0.06   0.09  -0.02
    31   1    -0.04   0.09  -0.01     0.05  -0.09   0.01     0.05  -0.08   0.01
    32   1    -0.09   0.04   0.02     0.12  -0.06  -0.02     0.08  -0.04  -0.02
    33   1     0.10  -0.03  -0.01    -0.10   0.04   0.01    -0.09   0.03   0.01
    34   1    -0.11  -0.00   0.02    -0.14  -0.01   0.03     0.03   0.00  -0.01
    35   1     0.12  -0.01  -0.01     0.12  -0.00  -0.01    -0.04   0.01   0.00
    36   1     0.09   0.06   0.02     0.11   0.08   0.03    -0.05  -0.03  -0.01
    37   1    -0.09  -0.08  -0.01    -0.09  -0.08  -0.01     0.03   0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1443.1425              1443.4477              1446.5816
 Red. masses --      1.4440                 1.4419                 1.4480
 Frc consts  --      1.7718                 1.7700                 1.7853
 IR Inten    --      3.8558                 3.8701                 0.0073
 RamAct Fr= 1--      0.6563                 0.6491                 0.4156
  Dep-P Fr= 1--      0.7491                 0.7500                 0.7490
  Dep-U Fr= 1--      0.8565                 0.8571                 0.8565
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0937                 0.0927                 0.0593
 AlphaG Fr= 1--     -0.0001                 0.0000                -0.0024
 Gamma2 Fr= 1--      0.9131                 0.8664                 0.5640
 Delta2 Fr= 1--      0.7737                 0.7754                 0.5501
 Raman1 Fr= 1--       2.625                  2.596                  1.662
 ROA1   Fr= 1--     112.412                107.984                 71.748
 CID1   Fr= 1--      42.817                 41.592                 43.162
 Raman2 Fr= 1--       1.124                  1.113                  0.712
 ROA2   Fr= 1--      15.725                 14.589                  9.135
 CID2   Fr= 1--      13.985                 13.112                 12.833
 Raman3 Fr= 1--       2.249                  2.225                  1.424
 ROA3   Fr= 1--     112.412                107.984                 71.748
 CID3   Fr= 1--      49.989                 48.526                 50.395
 RC180  Fr= 1--       0.713                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03     0.03   0.02   0.09     0.03   0.01   0.08
     2   6    -0.01   0.01  -0.03    -0.02   0.03  -0.10    -0.02   0.02  -0.07
     3   7    -0.00   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.02
     4  45    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7     0.01   0.00  -0.01     0.01   0.01  -0.03     0.01   0.01  -0.02
     6   7     0.01  -0.01   0.03     0.00  -0.00   0.01    -0.01   0.00  -0.02
     7   6     0.03  -0.02  -0.10     0.00  -0.00  -0.02    -0.02   0.01   0.07
     8   6     0.01   0.04   0.10     0.00   0.01   0.02    -0.01  -0.02  -0.07
     9   7     0.01   0.01  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.02
    10   7     0.01   0.00   0.02    -0.01  -0.00  -0.02     0.01   0.00   0.02
    11   6     0.02   0.00  -0.06    -0.03  -0.00   0.08     0.03   0.00  -0.07
    12   6    -0.00  -0.02   0.06    -0.00   0.03  -0.08     0.00  -0.03   0.07
    13   7     0.00  -0.01  -0.02     0.00   0.01   0.02     0.00  -0.01  -0.02
    14   1    -0.11  -0.07  -0.19    -0.03  -0.03  -0.04     0.08   0.07   0.12
    15   1    -0.14  -0.27  -0.36    -0.04  -0.06  -0.07     0.10   0.18   0.23
    16   1    -0.14  -0.01   0.19    -0.02  -0.01   0.03     0.10  -0.01  -0.12
    17   1    -0.28   0.13   0.37    -0.04   0.03   0.07     0.19  -0.08  -0.23
    18   1    -0.08   0.04   0.12     0.09  -0.05  -0.14    -0.10   0.04   0.13
    19   1    -0.20  -0.00   0.23     0.23   0.02  -0.28    -0.22  -0.00   0.25
    20   1    -0.05   0.06  -0.11     0.06  -0.10   0.14    -0.05   0.10  -0.13
    21   1    -0.01   0.18  -0.22     0.03  -0.25   0.28    -0.03   0.22  -0.25
    22   1    -0.01  -0.03   0.06     0.01  -0.13   0.17     0.02  -0.11   0.13
    23   1     0.05  -0.06   0.11     0.15  -0.25   0.34     0.11  -0.20   0.25
    24   1    -0.03  -0.04  -0.06    -0.05  -0.11  -0.17    -0.06  -0.10  -0.13
    25   1    -0.08  -0.07  -0.12    -0.23  -0.16  -0.34    -0.18  -0.14  -0.26
    26   1     0.02   0.03   0.01     0.05   0.08   0.06     0.04   0.05   0.05
    27   1    -0.03  -0.05  -0.00    -0.05  -0.14  -0.01    -0.04  -0.14  -0.00
    28   1    -0.01   0.03  -0.03    -0.02   0.10  -0.06    -0.02   0.06  -0.05
    29   1    -0.01  -0.04   0.00     0.00  -0.15   0.01    -0.01  -0.14  -0.00
    30   1     0.03  -0.06   0.05    -0.04   0.07  -0.04     0.03  -0.06   0.05
    31   1    -0.07   0.07  -0.00     0.08  -0.10   0.00    -0.09   0.10   0.00
    32   1     0.06  -0.02  -0.03    -0.07   0.02   0.06     0.06  -0.02  -0.05
    33   1    -0.09   0.05   0.00     0.10  -0.07  -0.00    -0.11   0.08  -0.00
    34   1     0.10  -0.01  -0.06     0.02  -0.00  -0.02    -0.06   0.01   0.05
    35   1    -0.16  -0.02   0.01    -0.03  -0.02   0.00     0.13   0.03   0.00
    36   1     0.08   0.07   0.07     0.02   0.01   0.00    -0.04  -0.04  -0.05
    37   1    -0.15  -0.08  -0.01    -0.03  -0.03  -0.00     0.12   0.05  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.6718              1502.9195              1503.0272
 Red. masses --      1.0825                 1.0796                 1.0836
 Frc consts  --      1.4402                 1.4367                 1.4422
 IR Inten    --     44.5735                18.2203                 8.9762
 RamAct Fr= 1--      1.7559                 2.4833                 6.7667
  Dep-P Fr= 1--      0.3421                 0.7473                 0.1706
  Dep-U Fr= 1--      0.5098                 0.8554                 0.2915
 Alpha2 Fr= 1--      0.0158                 0.0001                 0.0992
 Beta2  Fr= 1--      0.1492                 0.3540                 0.3288
 AlphaG Fr= 1--      0.0353                 0.0004                 0.2170
 Gamma2 Fr= 1--      0.0309                 0.6207                 0.4646
 Delta2 Fr= 1--      0.1006                 0.5845                 0.3849
 Raman1 Fr= 1--       7.024                  9.933                 27.067
 ROA1   Fr= 1--       6.185                 78.294                 56.916
 CID1   Fr= 1--       0.881                  7.882                  2.103
 Raman2 Fr= 1--       1.790                  4.248                  3.945
 ROA2   Fr= 1--      -0.063                 10.222                  8.071
 CID2   Fr= 1--      -0.035                  2.406                  2.046
 Raman3 Fr= 1--       3.581                  8.496                  7.891
 ROA3   Fr= 1--       6.185                 78.294                 56.916
 CID3   Fr= 1--       1.727                  9.215                  7.213
 RC180  Fr= 1--       0.020                  0.711                 -0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
     2   6     0.01  -0.01  -0.01    -0.01   0.02   0.02     0.01  -0.04  -0.04
     3   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   7    -0.01  -0.00  -0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.05   0.01  -0.04    -0.03   0.00  -0.03     0.01  -0.00   0.01
     8   6    -0.00   0.00  -0.01    -0.01  -0.01   0.00     0.01   0.01  -0.01
     9   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6    -0.01   0.00  -0.01    -0.02   0.01  -0.00    -0.04   0.01  -0.03
    12   6     0.01  -0.03  -0.03    -0.02   0.04   0.04    -0.01   0.02   0.01
    13   7     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.01   0.00
    14   1    -0.01  -0.05   0.03    -0.00   0.05  -0.03     0.00  -0.13   0.09
    15   1    -0.03   0.03   0.06     0.07   0.02  -0.00    -0.14   0.00   0.06
    16   1     0.29  -0.37   0.29     0.21  -0.26   0.20    -0.07   0.09  -0.07
    17   1     0.39   0.30   0.22     0.30   0.21   0.14    -0.10  -0.07  -0.04
    18   1     0.12   0.06   0.08     0.09   0.06   0.07     0.31   0.18   0.22
    19   1     0.05  -0.12   0.08     0.10  -0.11   0.02     0.21  -0.33   0.15
    20   1     0.11   0.29   0.19    -0.16  -0.40  -0.27    -0.08  -0.18  -0.12
    21   1    -0.30   0.12   0.15     0.42  -0.19  -0.19     0.20  -0.11  -0.06
    22   1    -0.13   0.08   0.10     0.19  -0.11  -0.13    -0.34   0.20   0.25
    23   1     0.08   0.13   0.08    -0.11  -0.21  -0.10     0.21   0.37   0.18
    24   1    -0.07  -0.01   0.05     0.01   0.00  -0.00     0.04   0.00  -0.03
    25   1     0.03  -0.06   0.06    -0.01   0.01  -0.01     0.02   0.06   0.01
    26   1    -0.01  -0.03   0.02    -0.00  -0.01  -0.00     0.00   0.00   0.02
    27   1     0.03   0.00   0.00    -0.01  -0.00  -0.00     0.03   0.01   0.00
    28   1     0.00   0.01   0.00     0.00   0.00   0.01     0.00   0.02  -0.01
    29   1     0.01  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
    30   1    -0.01   0.01  -0.00     0.00  -0.00   0.02    -0.00   0.00   0.02
    31   1    -0.00  -0.00  -0.00    -0.01  -0.03   0.00    -0.01  -0.03   0.00
    32   1     0.01  -0.01   0.01    -0.01   0.00  -0.03     0.00  -0.00  -0.02
    33   1    -0.02  -0.01   0.00     0.04   0.02  -0.00     0.02   0.01  -0.00
    34   1     0.02   0.01  -0.01    -0.02  -0.00  -0.03    -0.01  -0.00   0.01
    35   1     0.01   0.00  -0.00     0.02  -0.02  -0.00    -0.01   0.00   0.00
    36   1    -0.01  -0.01   0.02     0.01   0.00   0.01    -0.02  -0.01   0.00
    37   1     0.00   0.04   0.00     0.00   0.02   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.3185              1503.5781              1503.9600
 Red. masses --      1.0792                 1.0792                 1.0798
 Frc consts  --      1.4370                 1.4375                 1.4391
 IR Inten    --      4.8342                21.8620                 6.1460
 RamAct Fr= 1--     13.9218                 3.1678                12.2440
  Dep-P Fr= 1--      0.7485                 0.7290                 0.6607
  Dep-U Fr= 1--      0.8562                 0.8432                 0.7957
 Alpha2 Fr= 1--      0.0003                 0.0011                 0.0195
 Beta2  Fr= 1--      1.9866                 0.4452                 1.6238
 AlphaG Fr= 1--      0.0003                 0.0036                 0.0439
 Gamma2 Fr= 1--     -5.1073                 0.7223                -3.8228
 Delta2 Fr= 1--     -1.1261                 0.8521                -0.6209
 Raman1 Fr= 1--      55.687                 12.671                 48.976
 ROA1   Fr= 1--    -526.333                 96.608               -386.857
 CID1   Fr= 1--      -9.452                  7.624                 -7.899
 Raman2 Fr= 1--      23.839                  5.342                 19.485
 ROA2   Fr= 1--    -113.565                 10.519                -86.781
 CID2   Fr= 1--      -4.764                  1.969                 -4.454
 Raman3 Fr= 1--      47.678                 10.685                 38.970
 ROA3   Fr= 1--    -526.333                 96.608               -386.857
 CID3   Fr= 1--     -11.039                  9.042                 -9.927
 RC180  Fr= 1--       0.712                  0.686                  0.591
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00    -0.01  -0.02   0.02    -0.04  -0.04   0.05
     2   6     0.01  -0.04  -0.03     0.00  -0.01  -0.00    -0.00   0.00   0.01
     3   7     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.01    -0.00  -0.00   0.01    -0.00   0.00  -0.01
     8   6    -0.01  -0.01   0.00    -0.04  -0.04   0.04     0.01   0.01  -0.02
     9   7     0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    10   7     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.04  -0.01   0.04    -0.01   0.00  -0.01     0.00  -0.00  -0.00
    12   6    -0.00   0.01   0.02     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    13   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.07  -0.04     0.01   0.54  -0.33    -0.00  -0.21   0.13
    15   1     0.09   0.02  -0.02     0.58   0.01  -0.24    -0.22  -0.00   0.10
    16   1     0.08  -0.11   0.08    -0.02   0.01  -0.01     0.04  -0.04   0.03
    17   1     0.13   0.08   0.05     0.02  -0.03  -0.05     0.03   0.04   0.04
    18   1    -0.37  -0.21  -0.26     0.13   0.07   0.08    -0.01  -0.01  -0.01
    19   1    -0.22   0.39  -0.20     0.09  -0.13   0.06    -0.02   0.02   0.00
    20   1    -0.06  -0.17  -0.11     0.03   0.07   0.04     0.02   0.05   0.03
    21   1     0.17  -0.04  -0.11    -0.07   0.02   0.04    -0.06   0.04   0.01
    22   1    -0.30   0.18   0.21    -0.05   0.03   0.04     0.06  -0.04  -0.04
    23   1     0.17   0.34   0.14     0.02   0.07   0.01    -0.05  -0.03  -0.07
    24   1     0.06   0.00  -0.04     0.21   0.03  -0.13     0.55   0.08  -0.34
    25   1     0.02   0.08   0.00    -0.02   0.22  -0.09    -0.07   0.59  -0.25
    26   1    -0.00  -0.01   0.02     0.00   0.00   0.01    -0.00   0.00   0.02
    27   1     0.03   0.01   0.00     0.01   0.00   0.00     0.01   0.01   0.00
    28   1    -0.00  -0.02  -0.02     0.00   0.00  -0.01    -0.00  -0.01  -0.02
    29   1    -0.03   0.02  -0.00    -0.01   0.01  -0.00    -0.04   0.02  -0.00
    30   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    31   1     0.01   0.03  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    32   1    -0.01   0.01   0.01    -0.02   0.01  -0.02     0.01  -0.01   0.01
    33   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    34   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.02     0.01   0.00   0.01
    35   1     0.01  -0.01  -0.00     0.03  -0.03  -0.00    -0.01   0.01   0.00
    36   1    -0.02  -0.01   0.02     0.00  -0.00   0.02     0.00   0.00  -0.01
    37   1    -0.00   0.03   0.00     0.01   0.02   0.00    -0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1643.7687              1657.2017              1657.7968
 Red. masses --      1.0765                 1.0784                 1.0781
 Frc consts  --      1.7137                 1.7450                 1.7457
 IR Inten    --     84.6136                39.8373                41.2688
 RamAct Fr= 1--      0.0162                 6.5643                 6.2874
  Dep-P Fr= 1--      0.7487                 0.7500                 0.7489
  Dep-U Fr= 1--      0.8563                 0.8571                 0.8564
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0023                 0.9377                 0.8974
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0009
 Gamma2 Fr= 1--      0.0084                 5.2005                 4.7619
 Delta2 Fr= 1--      0.0072                 5.1270                 4.8219
 Raman1 Fr= 1--       0.065                 26.257                 25.150
 ROA1   Fr= 1--       1.035                663.307                611.445
 CID1   Fr= 1--      15.932                 25.262                 24.312
 Raman2 Fr= 1--       0.028                 11.253                 10.769
 ROA2   Fr= 1--       0.144                 83.795                 75.711
 CID2   Fr= 1--       5.158                  7.447                  7.030
 Raman3 Fr= 1--       0.056                 22.506                 21.538
 ROA3   Fr= 1--       1.035                663.307                611.445
 CID3   Fr= 1--      18.607                 29.473                 28.389
 RC180  Fr= 1--       0.713                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     3   7    -0.02   0.01  -0.02    -0.02   0.02  -0.02    -0.01   0.01  -0.01
     4  45    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.02  -0.01  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.02  -0.02  -0.02    -0.02   0.01   0.02    -0.02   0.02   0.02
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.01
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     9   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.03  -0.02
    10   7     0.02   0.01  -0.02    -0.01  -0.00   0.01    -0.03  -0.01   0.02
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    12   6     0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.01   0.01
    14   1     0.01   0.02  -0.00    -0.01  -0.01   0.00     0.02  -0.02   0.03
    15   1     0.00  -0.01  -0.01     0.00   0.01   0.01    -0.04  -0.00   0.01
    16   1    -0.02   0.01  -0.00     0.01  -0.00   0.00     0.00   0.02  -0.03
    17   1     0.00  -0.01  -0.01    -0.00   0.01   0.01    -0.03  -0.02  -0.01
    18   1    -0.02  -0.00  -0.00    -0.01  -0.02  -0.03     0.01  -0.01  -0.01
    19   1     0.01   0.01  -0.01    -0.01   0.02  -0.01    -0.02   0.01   0.00
    20   1     0.00  -0.02   0.00     0.02   0.00   0.02     0.00   0.01   0.01
    21   1     0.01   0.01  -0.01    -0.02   0.02   0.00    -0.01   0.00   0.00
    22   1     0.01  -0.02  -0.00    -0.02  -0.01   0.02     0.01  -0.01  -0.01
    23   1    -0.01   0.00  -0.01     0.01   0.03   0.00    -0.01  -0.01  -0.01
    24   1     0.02   0.01  -0.00     0.02  -0.01  -0.03    -0.00   0.01   0.01
    25   1    -0.01   0.00  -0.01    -0.00   0.03  -0.01    -0.01  -0.02  -0.00
    26   1     0.06   0.08   0.27    -0.04  -0.05  -0.16     0.07   0.10   0.31
    27   1     0.28  -0.04   0.02    -0.17   0.02  -0.01     0.34  -0.02   0.03
    28   1     0.03  -0.11   0.28     0.04  -0.13   0.36     0.01  -0.04   0.12
    29   1     0.29  -0.07   0.02     0.37  -0.12   0.03     0.12  -0.04   0.01
    30   1     0.04  -0.10   0.29     0.05  -0.13   0.36    -0.01   0.03  -0.10
    31   1    -0.19  -0.24   0.02    -0.23  -0.33   0.03     0.05   0.09  -0.01
    32   1    -0.10   0.03   0.26     0.05  -0.01  -0.13     0.12  -0.03  -0.31
    33   1    -0.19  -0.19   0.02     0.10   0.10  -0.01     0.25   0.23  -0.03
    34   1    -0.10   0.01   0.27     0.09  -0.01  -0.24     0.12  -0.02  -0.33
    35   1    -0.10   0.26   0.02     0.11  -0.23  -0.02     0.15  -0.33  -0.03
    36   1     0.07   0.07   0.26    -0.07  -0.07  -0.25     0.08   0.08   0.30
    37   1    -0.08   0.27   0.02     0.05  -0.27  -0.02    -0.08   0.32   0.03
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.4543              1667.5236              1668.0859
 Red. masses --      1.0788                 1.0780                 1.0776
 Frc consts  --      1.7504                 1.7660                 1.7667
 IR Inten    --      0.3598                31.2951                32.9982
 RamAct Fr= 1--      3.6215                 5.5685                 5.2608
  Dep-P Fr= 1--      0.6953                 0.7499                 0.7499
  Dep-U Fr= 1--      0.8203                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0035                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4951                 0.7954                 0.7515
 AlphaG Fr= 1--     -0.0341                -0.0001                -0.0000
 Gamma2 Fr= 1--     -9.7944                 3.4503                 3.2516
 Delta2 Fr= 1--     -4.3324                 0.2045                 0.0856
 Raman1 Fr= 1--      14.486                 22.274                 21.043
 ROA1   Fr= 1--   -1078.900                337.773                314.891
 CID1   Fr= 1--     -74.478                 15.164                 14.964
 Raman2 Fr= 1--       5.941                  9.545                  9.018
 ROA2   Fr= 1--    -200.407                 81.170                 77.353
 CID2   Fr= 1--     -33.731                  8.504                  8.577
 Raman3 Fr= 1--      11.883                 19.090                 18.036
 ROA3   Fr= 1--   -1078.900                337.773                314.891
 CID3   Fr= 1--     -90.796                 17.693                 17.459
 RC180  Fr= 1--       0.641                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.01     0.00   0.00   0.01     0.00   0.00   0.01
     3   7     0.02  -0.01   0.02     0.03  -0.02   0.02     0.01  -0.00   0.01
     4  45    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.03  -0.00  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.01  -0.01  -0.01    -0.01   0.02   0.02    -0.02   0.02   0.02
     7   6     0.00  -0.00  -0.01     0.00   0.00   0.01     0.00   0.00   0.00
     8   6    -0.00   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
     9   7     0.00   0.02   0.02    -0.00  -0.02  -0.02     0.00   0.02   0.02
    10   7    -0.02  -0.01   0.02     0.01   0.00  -0.01     0.03   0.01  -0.03
    11   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.01
    12   6     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00   0.00   0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.01     0.01  -0.00   0.02    -0.01  -0.01  -0.00
    15   1     0.00  -0.01  -0.01    -0.01   0.01   0.01     0.00   0.00   0.00
    16   1    -0.01  -0.01   0.01     0.01   0.01  -0.02     0.01   0.00  -0.01
    17   1    -0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.00   0.00  -0.00
    18   1     0.00  -0.02  -0.02    -0.01  -0.00  -0.01    -0.01   0.01   0.02
    19   1    -0.00   0.02  -0.02     0.00   0.01  -0.01     0.00  -0.01   0.01
    20   1     0.02   0.00   0.02     0.01  -0.01   0.01    -0.01  -0.01  -0.01
    21   1    -0.02  -0.00   0.02    -0.01   0.00   0.01     0.01   0.00  -0.01
    22   1     0.01   0.01  -0.02     0.00   0.02  -0.01     0.01   0.00  -0.01
    23   1    -0.01  -0.01  -0.02    -0.00  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.01   0.02    -0.01  -0.01   0.00    -0.00   0.02   0.02
    25   1     0.01  -0.01   0.02     0.01  -0.00   0.01     0.01  -0.01   0.01
    26   1     0.06   0.06   0.32    -0.03  -0.03  -0.18     0.07   0.07   0.34
    27   1     0.33  -0.04   0.03    -0.18   0.03  -0.02     0.36  -0.03   0.03
    28   1    -0.03   0.07  -0.29    -0.04   0.10  -0.36    -0.01   0.03  -0.08
    29   1    -0.29   0.07  -0.03    -0.36   0.11  -0.03    -0.08   0.04  -0.01
    30   1     0.02  -0.07   0.28     0.03  -0.10   0.37    -0.01   0.01  -0.03
    31   1    -0.18  -0.23   0.03    -0.22  -0.32   0.03     0.01   0.03  -0.00
    32   1     0.09  -0.01  -0.31    -0.03   0.00   0.12    -0.11   0.02   0.39
    33   1     0.23   0.23  -0.03    -0.08  -0.09   0.01    -0.30  -0.27   0.03
    34   1    -0.05   0.02   0.21     0.07  -0.01  -0.23     0.08  -0.02  -0.32
    35   1    -0.08   0.20   0.02     0.11  -0.22  -0.02     0.14  -0.31  -0.03
    36   1    -0.03  -0.05  -0.23     0.06   0.07   0.29    -0.05  -0.06  -0.28
    37   1     0.07  -0.23  -0.02    -0.06   0.30   0.02     0.07  -0.29  -0.02
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0024              3071.1302              3071.5942
 Red. masses --      1.0632                 1.0632                 1.0630
 Frc consts  --      5.9078                 5.9081                 5.9089
 IR Inten    --      5.9240                 5.1293                 5.3972
 RamAct Fr= 1--    179.1296               238.5173               225.9741
  Dep-P Fr= 1--      0.0415                 0.0313                 0.0325
  Dep-U Fr= 1--      0.0796                 0.0606                 0.0630
 Alpha2 Fr= 1--      3.6109                 4.9254                 4.6524
 Beta2  Fr= 1--      2.3769                 2.4107                 2.3740
 AlphaG Fr= 1--      0.1586                 0.2546                 0.2207
 Gamma2 Fr= 1--     10.5809                 0.6916                 2.3904
 Delta2 Fr= 1--      8.4669                 2.2915                 3.3228
 Raman1 Fr= 1--     716.518                954.069                903.897
 ROA1   Fr= 1--    1286.709                139.725                335.808
 CID1   Fr= 1--       1.796                  0.146                  0.372
 Raman2 Fr= 1--      28.523                 28.928                 28.488
 ROA2   Fr= 1--     186.206                 -1.732                 30.787
 CID2   Fr= 1--       6.528                 -0.060                  1.081
 Raman3 Fr= 1--      57.046                 57.856                 56.976
 ROA3   Fr= 1--    1286.709                139.725                335.808
 CID3   Fr= 1--      22.556                  2.415                  5.894
 RC180  Fr= 1--      -0.841                 -0.879                 -0.874
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.03
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.03  -0.02   0.03     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.01   0.03  -0.03     0.00   0.00  -0.00
     9   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.03   0.00   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.04  -0.04    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.01   0.01    -0.34   0.10   0.11    -0.01   0.00   0.00
    15   1     0.01  -0.04   0.02     0.16  -0.49   0.26     0.00  -0.01   0.01
    16   1    -0.02  -0.02  -0.01    -0.22  -0.30  -0.12    -0.00  -0.00  -0.00
    17   1    -0.01   0.04  -0.02    -0.18   0.51  -0.28    -0.00   0.01  -0.00
    18   1    -0.08   0.33  -0.11     0.01  -0.03   0.01     0.00  -0.00   0.00
    19   1    -0.34  -0.38  -0.26     0.03   0.03   0.02     0.00   0.00   0.00
    20   1    -0.38   0.04   0.12     0.03  -0.00  -0.01     0.01  -0.00  -0.00
    21   1     0.36   0.42   0.28    -0.03  -0.03  -0.02    -0.01  -0.01  -0.00
    22   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.27   0.25   0.11
    23   1    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.51   0.11   0.27
    24   1    -0.00   0.01  -0.00     0.00  -0.01   0.00    -0.15   0.34  -0.12
    25   1     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.52  -0.10  -0.27
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    32   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    35   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    36   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3076.0315              3076.1921              3076.4755
 Red. masses --      1.0604                 1.0604                 1.0604
 Frc consts  --      5.9113                 5.9121                 5.9131
 IR Inten    --      3.5265                11.1498                10.0478
 RamAct Fr= 1--     12.5592                58.5836                52.0132
  Dep-P Fr= 1--      0.6955                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8204                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0120                 0.0001                 0.0000
 Beta2  Fr= 1--      1.7172                 8.3684                 7.4304
 AlphaG Fr= 1--      0.0005                 0.0001                -0.0000
 Gamma2 Fr= 1--     -2.1160                -8.7395                -7.8635
 Delta2 Fr= 1--     -1.5638                -6.7422                -6.1362
 Raman1 Fr= 1--      50.237                234.334                208.053
 ROA1   Fr= 1--    -253.175              -1054.738               -951.252
 CID1   Fr= 1--      -5.040                 -4.501                 -4.572
 Raman2 Fr= 1--      20.607                100.421                 89.165
 ROA2   Fr= 1--     -38.273               -155.810               -139.634
 CID2   Fr= 1--      -1.857                 -1.552                 -1.566
 Raman3 Fr= 1--      41.213                200.841                178.329
 ROA3   Fr= 1--    -253.175              -1054.738               -951.252
 CID3   Fr= 1--      -6.143                 -5.252                 -5.334
 RC180  Fr= 1--       0.641                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.02  -0.03   0.03
     2   6    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.01   0.04   0.03
     3   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.00   0.02     0.03  -0.00   0.03    -0.01   0.00  -0.01
     8   6    -0.01  -0.01   0.02    -0.02  -0.02   0.03     0.00   0.00  -0.01
     9   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.03  -0.01   0.03    -0.02   0.01  -0.02    -0.00   0.00  -0.00
    12   6    -0.01   0.03   0.03     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    13   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.24  -0.07  -0.08     0.40  -0.12  -0.13    -0.08   0.02   0.02
    15   1    -0.07   0.22  -0.12    -0.12   0.36  -0.20     0.02  -0.07   0.04
    16   1    -0.15  -0.20  -0.07    -0.24  -0.32  -0.12     0.05   0.07   0.03
    17   1    -0.07   0.21  -0.11    -0.11   0.33  -0.18     0.02  -0.07   0.04
    18   1    -0.10   0.41  -0.13     0.06  -0.26   0.08     0.02  -0.07   0.02
    19   1    -0.25  -0.29  -0.20     0.16   0.18   0.13     0.04   0.05   0.03
    20   1     0.38  -0.04  -0.12    -0.25   0.03   0.08    -0.06   0.01   0.02
    21   1    -0.22  -0.26  -0.18     0.15   0.17   0.12     0.04   0.04   0.03
    22   1    -0.07  -0.07  -0.03    -0.02  -0.02  -0.01    -0.35  -0.33  -0.15
    23   1     0.09  -0.02  -0.05     0.03  -0.01  -0.01     0.42  -0.08  -0.22
    24   1    -0.04   0.09  -0.03    -0.02   0.03  -0.01    -0.19   0.43  -0.14
    25   1     0.09  -0.02  -0.05     0.03  -0.01  -0.02     0.41  -0.08  -0.22
    26   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    28   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    36   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3116.6589              3116.7471              3116.9752
 Red. masses --      1.1078                 1.1079                 1.1080
 Frc consts  --      6.3401                 6.3408                 6.3426
 IR Inten    --     11.5299                10.4188                 1.2212
 RamAct Fr= 1--    120.3366               123.7184               149.7606
  Dep-P Fr= 1--      0.7347                 0.6270                 0.1320
  Dep-U Fr= 1--      0.8471                 0.7708                 0.2332
 Alpha2 Fr= 1--      0.0315                 0.2771                 2.4227
 Beta2  Fr= 1--     16.9887                15.8927                 5.8198
 AlphaG Fr= 1--     -0.0158                -0.1569                -1.3922
 Gamma2 Fr= 1--    -17.7778                -5.8530                95.9328
 Delta2 Fr= 1--    -30.3195               -20.6180                63.7476
 Raman1 Fr= 1--     481.346                494.873                599.042
 ROA1   Fr= 1--   -2676.898              -1221.665              11249.477
 CID1   Fr= 1--      -5.561                 -2.469                 18.779
 Raman2 Fr= 1--     203.865                190.712                 69.837
 ROA2   Fr= 1--    -184.112                 24.472               1792.407
 CID2   Fr= 1--      -0.903                  0.128                 25.665
 Raman3 Fr= 1--     407.729                381.424                139.674
 ROA3   Fr= 1--   -2676.898              -1221.665              11249.477
 CID3   Fr= 1--      -6.565                 -3.203                 80.541
 RC180  Fr= 1--       0.694                  0.542                 -0.534
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.03   0.00     0.04  -0.04   0.00
     2   6     0.01   0.00   0.00    -0.04  -0.02  -0.00    -0.05  -0.02  -0.00
     3   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.04  -0.00    -0.01  -0.05  -0.00     0.01   0.03   0.00
     8   6    -0.03   0.02   0.00    -0.04   0.03   0.00     0.02  -0.02  -0.00
     9   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.01   0.05  -0.00    -0.00  -0.03   0.00     0.00   0.03  -0.00
    12   6    -0.05  -0.01   0.00     0.03   0.01  -0.00    -0.03  -0.01   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.30  -0.08  -0.10     0.38  -0.10  -0.13    -0.24   0.07   0.08
    15   1     0.05  -0.18   0.10     0.07  -0.22   0.12    -0.04   0.14  -0.08
    16   1     0.19   0.25   0.10     0.24   0.32   0.13    -0.15  -0.20  -0.08
    17   1    -0.06   0.17  -0.10    -0.08   0.22  -0.13     0.05  -0.14   0.08
    18   1     0.12  -0.45   0.15    -0.06   0.22  -0.08     0.05  -0.21   0.07
    19   1    -0.18  -0.20  -0.14     0.09   0.10   0.07    -0.09  -0.09  -0.07
    20   1     0.47  -0.06  -0.16    -0.23   0.03   0.08     0.22  -0.03  -0.07
    21   1     0.17   0.21   0.15    -0.09  -0.10  -0.07     0.08   0.10   0.07
    22   1    -0.03  -0.03  -0.02     0.23   0.23   0.11     0.32   0.32   0.15
    23   1    -0.03   0.01   0.02     0.19  -0.04  -0.10     0.26  -0.06  -0.14
    24   1     0.02  -0.05   0.02    -0.13   0.30  -0.11    -0.18   0.42  -0.15
    25   1     0.03  -0.01  -0.02    -0.19   0.03   0.10    -0.27   0.05   0.14
    26   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.01  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.01   0.01   0.00    -0.00  -0.01  -0.00     0.00   0.01   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    34   1     0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.01  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    36   1    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3127.2569              3127.3503              3127.6214
 Red. masses --      1.1101                 1.1102                 1.1101
 Frc consts  --      6.3967                 6.3972                 6.3980
 IR Inten    --      1.0789                 3.9465                 4.4449
 RamAct Fr= 1--     65.9325                42.3177                36.8184
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      9.4187                 6.0454                 5.2595
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--    -43.8028               -28.4888               -24.9703
 Delta2 Fr= 1--     -7.0095                -4.5968                -4.0454
 Raman1 Fr= 1--     263.730                169.271                147.274
 ROA1   Fr= 1--   -4429.374              -2882.026              -2526.599
 CID1   Fr= 1--     -16.795                -17.026                -17.156
 Raman2 Fr= 1--     113.025                 72.545                 63.113
 ROA2   Fr= 1--    -995.191               -646.958               -566.924
 CID2   Fr= 1--      -8.805                 -8.918                 -8.983
 Raman3 Fr= 1--     226.050                145.089                126.227
 ROA3   Fr= 1--   -4429.374              -2882.026              -2526.599
 CID3   Fr= 1--     -19.595                -19.864                -20.016
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.05   0.04   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.06  -0.02   0.01
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.02   0.00     0.01   0.06  -0.01    -0.00  -0.01   0.00
     8   6     0.02  -0.02   0.00    -0.05   0.04  -0.01     0.01  -0.01   0.00
     9   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.02  -0.06  -0.01    -0.01  -0.02  -0.00     0.00   0.01   0.00
    12   6    -0.06  -0.02  -0.01    -0.02  -0.01  -0.00     0.01   0.00   0.00
    13   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.16   0.04   0.05     0.42  -0.11  -0.14    -0.05   0.01   0.02
    15   1    -0.05   0.15  -0.08     0.13  -0.40   0.23    -0.02   0.05  -0.03
    16   1     0.10   0.13   0.05    -0.26  -0.34  -0.14     0.03   0.04   0.02
    17   1    -0.05   0.14  -0.08     0.14  -0.39   0.22    -0.02   0.05  -0.03
    18   1    -0.11   0.42  -0.15    -0.04   0.15  -0.05     0.01  -0.04   0.01
    19   1     0.28   0.31   0.23     0.10   0.11   0.08    -0.03  -0.03  -0.02
    20   1     0.43  -0.05  -0.14     0.15  -0.02  -0.05    -0.05   0.01   0.02
    21   1     0.26   0.32   0.22     0.09   0.11   0.08    -0.03  -0.03  -0.02
    22   1     0.02   0.01   0.01     0.05   0.05   0.02     0.32   0.32   0.15
    23   1     0.02  -0.00  -0.01     0.06  -0.01  -0.04     0.43  -0.10  -0.24
    24   1     0.01  -0.02   0.01     0.02  -0.06   0.02     0.18  -0.42   0.15
    25   1     0.02  -0.00  -0.01     0.06  -0.01  -0.03     0.43  -0.08  -0.24
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.00   0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    32   1    -0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   1     0.00  -0.01   0.00     0.00   0.02  -0.01    -0.00  -0.00   0.00
    35   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    36   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    37   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.9158              3432.0260              3433.1910
 Red. masses --      1.0523                 1.0523                 1.0528
 Frc consts  --      7.3022                 7.3027                 7.3109
 IR Inten    --     50.8998                48.8915                72.3742
 RamAct Fr= 1--     10.1699                 9.5945                 6.0812
  Dep-P Fr= 1--      0.6847                 0.7478                 0.7497
  Dep-U Fr= 1--      0.8129                 0.8557                 0.8570
 Alpha2 Fr= 1--      0.0117                 0.0004                 0.0000
 Beta2  Fr= 1--      1.3778                 1.3683                 0.8685
 AlphaG Fr= 1--      0.0018                 0.0001                -0.0000
 Gamma2 Fr= 1--     14.7534                14.5071                -3.6978
 Delta2 Fr= 1--      1.0031                 0.7067                -0.0811
 Raman1 Fr= 1--      40.679                 38.378                 24.325
 ROA1   Fr= 1--    1448.429               1415.295               -357.582
 CID1   Fr= 1--      35.606                 36.878                -14.700
 Raman2 Fr= 1--      16.533                 16.420                 10.423
 ROA2   Fr= 1--     346.057                342.516                -88.098
 CID2   Fr= 1--      20.931                 20.860                 -8.453
 Raman3 Fr= 1--      33.067                 32.839                 20.845
 ROA3   Fr= 1--    1448.429               1415.295               -357.582
 CID3   Fr= 1--      43.803                 43.098                -17.154
 RC180  Fr= 1--       0.626                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   7    -0.03   0.01  -0.02     0.00  -0.00   0.00    -0.03   0.01  -0.02
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.00   0.00    -0.03   0.00  -0.02    -0.02   0.00  -0.01
     6   7     0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00   0.01   0.01    -0.01   0.02   0.02     0.00  -0.00  -0.00
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02     0.01   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.02   0.02    -0.01  -0.01   0.01     0.02   0.02  -0.02
    14   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    22   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    23   1     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.05   0.02   0.01     0.41  -0.13  -0.08     0.26  -0.08  -0.05
    27   1     0.01  -0.01  -0.04    -0.05   0.07   0.37    -0.03   0.04   0.23
    28   1     0.46  -0.04  -0.09    -0.06   0.01   0.01     0.48  -0.04  -0.09
    29   1    -0.08  -0.05   0.41     0.01   0.01  -0.05    -0.08  -0.05   0.41
    30   1     0.24   0.22   0.06     0.21   0.19   0.05    -0.35  -0.32  -0.09
    31   1    -0.06  -0.01  -0.28    -0.05  -0.01  -0.25     0.09   0.01   0.40
    32   1     0.10   0.14   0.03    -0.22  -0.32  -0.07    -0.08  -0.11  -0.03
    33   1     0.00  -0.03  -0.15    -0.00   0.07   0.34    -0.00   0.02   0.11
    34   1    -0.08   0.35  -0.07     0.03  -0.15   0.03     0.01  -0.07   0.01
    35   1    -0.03  -0.06   0.31     0.01   0.03  -0.13     0.01   0.01  -0.07
    36   1     0.10  -0.22   0.05     0.14  -0.29   0.06    -0.02   0.05  -0.01
    37   1    -0.04   0.02  -0.22    -0.05   0.03  -0.28     0.01  -0.00   0.03
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.3452              3433.4408              3435.2884
 Red. masses --      1.0530                 1.0528                 1.0527
 Frc consts  --      7.3130                 7.3126                 7.3198
 IR Inten    --     16.8195                53.0647                 0.1413
 RamAct Fr= 1--     12.1595                 8.4401               412.7363
  Dep-P Fr= 1--      0.7389                 0.7078                 0.0041
  Dep-U Fr= 1--      0.8498                 0.8289                 0.0082
 Alpha2 Fr= 1--      0.0023                 0.0062                 9.0841
 Beta2  Fr= 1--      1.7223                 1.1660                 0.5646
 AlphaG Fr= 1--      0.0010                 0.0028                 2.4760
 Gamma2 Fr= 1--     -7.7691                -5.4365               -15.2444
 Delta2 Fr= 1--     -0.4382                -0.4416                -1.6150
 Raman1 Fr= 1--      48.638                 33.760               1650.945
 ROA1   Fr= 1--    -759.855               -536.039              -1515.140
 CID1   Fr= 1--     -15.623                -15.878                 -0.918
 Raman2 Fr= 1--      20.667                 13.992                  6.776
 ROA2   Fr= 1--    -182.952               -126.944               -352.944
 CID2   Fr= 1--      -8.852                 -9.073                -52.090
 Raman3 Fr= 1--      41.335                 27.984                 13.551
 ROA3   Fr= 1--    -759.855               -536.039              -1515.140
 CID3   Fr= 1--     -18.383                -19.155               -111.808
 RC180  Fr= 1--       0.700                  0.658                 -0.984
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   7    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.02  -0.00   0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.03   0.00  -0.02     0.00  -0.00   0.00    -0.02   0.00  -0.01
     6   7     0.00  -0.00  -0.00     0.01  -0.03  -0.03     0.01  -0.02  -0.01
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   7     0.01  -0.03  -0.02     0.00  -0.01  -0.01    -0.01   0.02   0.02
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02    -0.01  -0.01   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.01   0.01     0.00   0.00  -0.00     0.01   0.01  -0.01
    14   1    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    19   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1     0.43  -0.14  -0.08    -0.01   0.00   0.00     0.29  -0.09  -0.06
    27   1    -0.05   0.07   0.38     0.00  -0.00  -0.02    -0.03   0.04   0.25
    28   1     0.01  -0.00  -0.00    -0.10   0.01   0.02    -0.29   0.02   0.05
    29   1    -0.00  -0.00   0.01     0.02   0.01  -0.10     0.04   0.03  -0.24
    30   1     0.17   0.16   0.04    -0.05  -0.04  -0.01    -0.22  -0.20  -0.06
    31   1    -0.04  -0.00  -0.21     0.01   0.00   0.04     0.05   0.01   0.24
    32   1     0.14   0.20   0.05    -0.25  -0.36  -0.08     0.18   0.26   0.06
    33   1     0.00  -0.05  -0.22    -0.00   0.08   0.37     0.00  -0.06  -0.26
    34   1    -0.01   0.05  -0.01    -0.12   0.54  -0.10    -0.07   0.30  -0.06
    35   1    -0.00  -0.01   0.04    -0.04  -0.09   0.46    -0.02  -0.05   0.25
    36   1    -0.20   0.43  -0.09    -0.09   0.20  -0.04     0.14  -0.30   0.06
    37   1     0.08  -0.04   0.41     0.04  -0.02   0.18    -0.05   0.03  -0.27
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.5121              3480.6768              3481.2609
 Red. masses --      1.0928                 1.0928                 1.0928
 Frc consts  --      7.8000                 7.8001                 7.8028
 IR Inten    --      5.8664                11.4175                17.3769
 RamAct Fr= 1--      5.0203                 2.4028                10.9286
  Dep-P Fr= 1--      0.7493                 0.7500                 0.7477
  Dep-U Fr= 1--      0.8567                 0.8571                 0.8556
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0004
 Beta2  Fr= 1--      0.7168                 0.3432                 1.5585
 AlphaG Fr= 1--     -0.0004                -0.0000                -0.0024
 Gamma2 Fr= 1--    -11.1312                -6.7247                -5.1874
 Delta2 Fr= 1--      0.1163                -0.8172                11.7529
 Raman1 Fr= 1--      20.081                  9.611                 43.714
 ROA1   Fr= 1--   -1064.873               -671.725               -121.900
 CID1   Fr= 1--     -53.029                -69.891                 -2.789
 Raman2 Fr= 1--       8.601                  4.119                 18.702
 ROA2   Fr= 1--    -268.079               -154.856               -218.521
 CID2   Fr= 1--     -31.167                -37.596                -11.684
 Raman3 Fr= 1--      17.203                  8.238                 37.404
 ROA3   Fr= 1--   -1064.873               -671.725               -121.900
 CID3   Fr= 1--     -61.901                -81.540                 -3.259
 RC180  Fr= 1--       0.713                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7     0.03   0.00  -0.04    -0.02  -0.00   0.02    -0.03  -0.00   0.03
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.02   0.01   0.02    -0.02   0.01   0.03    -0.01   0.01   0.02
     6   7     0.00  -0.01   0.01    -0.00   0.02  -0.03     0.00  -0.02   0.02
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.03     0.01  -0.01   0.02    -0.01   0.02  -0.02
    10   7     0.00   0.00   0.01    -0.01  -0.03  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7    -0.02  -0.02  -0.03     0.00   0.00   0.00    -0.03  -0.02  -0.04
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.01   0.01   0.01     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.01   0.00   0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    26   1     0.23  -0.07  -0.03     0.31  -0.10  -0.05     0.19  -0.06  -0.03
    27   1     0.02  -0.04  -0.28     0.03  -0.06  -0.38     0.02  -0.03  -0.22
    28   1    -0.40   0.03   0.06     0.20  -0.02  -0.03     0.32  -0.03  -0.05
    29   1    -0.06  -0.05   0.45     0.03   0.03  -0.23     0.05   0.04  -0.36
    30   1     0.25   0.23   0.05    -0.02  -0.02  -0.00     0.31   0.28   0.06
    31   1     0.07  -0.00   0.39    -0.01   0.00  -0.03     0.08  -0.00   0.47
    32   1    -0.03  -0.05  -0.01     0.21   0.30   0.05    -0.01  -0.01  -0.00
    33   1     0.00  -0.01  -0.07    -0.01   0.07   0.42     0.00  -0.00  -0.01
    34   1    -0.02   0.08  -0.01     0.06  -0.29   0.04    -0.04   0.18  -0.03
    35   1     0.01   0.01  -0.10    -0.03  -0.05   0.34     0.02   0.03  -0.22
    36   1    -0.12   0.26  -0.04    -0.09   0.19  -0.03     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.32    -0.04   0.01  -0.24     0.05  -0.02   0.30
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3481.4209              3482.6859              3483.3025
 Red. masses --      1.0927                 1.0926                 1.0920
 Frc consts  --      7.8030                 7.8077                 7.8068
 IR Inten    --     22.6433               144.8284                 0.2839
 RamAct Fr= 1--      8.4732                 0.2464               132.5657
  Dep-P Fr= 1--      0.7488                 0.6090                 0.6896
  Dep-U Fr= 1--      0.8564                 0.7570                 0.8163
 Alpha2 Fr= 1--      0.0002                 0.0006                 0.1404
 Beta2  Fr= 1--      1.2094                 0.0311                18.0354
 AlphaG Fr= 1--     -0.0015                -0.0021                -0.8074
 Gamma2 Fr= 1--     -0.8969                 0.0959                38.4401
 Delta2 Fr= 1--     10.9677                -0.0240               -25.8043
 Raman1 Fr= 1--      33.893                  0.986                530.263
 ROA1   Fr= 1--     264.867                  8.436               2864.513
 CID1   Fr= 1--       7.815                  8.559                  5.402
 Raman2 Fr= 1--      14.512                  0.373                216.424
 ROA2   Fr= 1--    -109.267                  2.493               1128.998
 CID2   Fr= 1--      -7.529                  6.681                  5.217
 Raman3 Fr= 1--      29.025                  0.746                432.849
 ROA3   Fr= 1--     264.867                  8.436               2864.513
 CID3   Fr= 1--       9.126                 11.306                  6.618
 RC180  Fr= 1--       0.713                  0.514                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   7    -0.01  -0.00   0.01     0.02   0.00  -0.02     0.02   0.00  -0.02
     4  45    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.02  -0.01  -0.03     0.02  -0.01  -0.02    -0.02   0.01   0.02
     6   7     0.00  -0.03   0.03    -0.00   0.02  -0.03     0.00  -0.02   0.03
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.02    -0.01   0.02  -0.03    -0.01   0.02  -0.03
    10   7    -0.01  -0.03  -0.03    -0.01  -0.02  -0.03    -0.01  -0.02  -0.03
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.01    -0.02  -0.01  -0.03     0.02   0.01   0.02
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01  -0.01     0.00  -0.01   0.01    -0.00   0.01  -0.00
    18   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    26   1    -0.30   0.10   0.04    -0.22   0.07   0.03     0.22  -0.07  -0.03
    27   1    -0.03   0.05   0.36    -0.02   0.05   0.29     0.02  -0.04  -0.28
    28   1     0.10  -0.01  -0.01    -0.22   0.02   0.03    -0.23   0.02   0.03
    29   1     0.01   0.01  -0.11    -0.04  -0.03   0.26    -0.04  -0.03   0.28
    30   1     0.07   0.07   0.01     0.19   0.17   0.03    -0.17  -0.15  -0.03
    31   1     0.02  -0.00   0.11     0.05  -0.00   0.31    -0.05   0.00  -0.28
    32   1     0.20   0.29   0.05     0.15   0.21   0.04     0.16   0.23   0.04
    33   1    -0.01   0.07   0.40    -0.01   0.05   0.31    -0.01   0.06   0.34
    34   1    -0.07   0.33  -0.05     0.06  -0.29   0.04    -0.06   0.26  -0.04
    35   1     0.04   0.06  -0.38    -0.03  -0.05   0.37     0.03   0.05  -0.33
    36   1    -0.11   0.24  -0.04     0.11  -0.24   0.04     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.30     0.05  -0.02   0.31     0.05  -0.02   0.34

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2615.131202615.504363783.53931
           X            0.99999   0.00483  -0.00000
           Y           -0.00483   0.99999  -0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03312     0.03312     0.02289
 Rotational constants (GHZ):           0.69011     0.69002     0.47700
 Zero-point vibrational energy     925907.1 (Joules/Mol)
                                  221.29712 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.10   118.20   128.94   209.26   210.18
          (Kelvin)            240.74   313.12   316.45   324.91   362.40
                              416.54   417.44   448.76   477.78   478.85
                              578.84   579.97   580.63   664.81   665.82
                              727.66   752.77   803.41   804.57   972.86
                              973.22  1027.22  1079.69  1079.91  1097.59
                             1245.36  1245.43  1248.00  1252.85  1255.61
                             1255.78  1413.26  1414.68  1414.99  1434.21
                             1434.86  1452.72  1507.14  1507.27  1511.86
                             1594.83  1608.13  1609.00  1685.92  1686.46
                             1716.53  1763.58  1764.16  1794.26  1857.63
                             1857.67  1864.70  1916.23  1916.56  1930.01
                             1936.97  1940.13  1940.20  2020.80  2022.24
                             2022.50  2076.36  2076.80  2081.31  2162.01
                             2162.37  2162.52  2162.94  2163.31  2163.86
                             2365.02  2384.34  2385.20  2387.58  2399.19
                             2400.00  4418.49  4418.67  4419.34  4425.72
                             4425.95  4426.36  4484.18  4484.30  4484.63
                             4499.43  4499.56  4499.95  4937.76  4937.92
                             4939.60  4939.82  4939.96  4942.61  5007.68
                             5007.92  5008.76  5008.99  5010.81  5011.70
 
 Zero-point correction=                           0.352659 (Hartree/Particle)
 Thermal correction to Energy=                    0.367690
 Thermal correction to Enthalpy=                  0.368634
 Thermal correction to Gibbs Free Energy=         0.312034
 Sum of electronic and zero-point Energies=           -681.282277
 Sum of electronic and thermal Energies=              -681.267247
 Sum of electronic and thermal Enthalpies=            -681.266303
 Sum of electronic and thermal Free Energies=         -681.322903
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.729             60.543            119.125
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.626
 Vibrational            228.951             54.582             44.679
 Vibration     1          0.600              1.963              3.908
 Vibration     2          0.600              1.961              3.839
 Vibration     3          0.602              1.957              3.668
 Vibration     4          0.617              1.908              2.731
 Vibration     5          0.617              1.907              2.723
 Vibration     6          0.624              1.883              2.465
 Vibration     7          0.646              1.814              1.979
 Vibration     8          0.647              1.811              1.960
 Vibration     9          0.650              1.802              1.912
 Vibration    10          0.664              1.760              1.717
 Vibration    11          0.686              1.693              1.477
 Vibration    12          0.686              1.692              1.473
 Vibration    13          0.700              1.651              1.352
 Vibration    14          0.714              1.611              1.250
 Vibration    15          0.715              1.610              1.246
 Vibration    16          0.768              1.465              0.954
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.769              1.462              0.950
 Vibration    19          0.820              1.334              0.760
 Vibration    20          0.820              1.333              0.758
 Vibration    21          0.861              1.237              0.644
 Vibration    22          0.878              1.199              0.603
 Vibration    23          0.914              1.121              0.527
 Vibration    24          0.915              1.120              0.525
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.298277-143       -143.525381       -330.479402
 Total V=0       0.485893D+19         18.686540         43.027349
 Vib (Bot)       0.874804-158       -158.058089       -363.942200
 Vib (Bot)    1  0.259709D+01          0.414487          0.954391
 Vib (Bot)    2  0.250608D+01          0.398995          0.918721
 Vib (Bot)    3  0.229433D+01          0.360656          0.830441
 Vib (Bot)    4  0.139595D+01          0.144871          0.333577
 Vib (Bot)    5  0.138956D+01          0.142877          0.328988
 Vib (Bot)    6  0.120546D+01          0.081151          0.186857
 Vib (Bot)    7  0.909797D+00         -0.041056         -0.094534
 Vib (Bot)    8  0.899361D+00         -0.046066         -0.106071
 Vib (Bot)    9  0.873766D+00         -0.058605         -0.134943
 Vib (Bot)   10  0.774156D+00         -0.111172         -0.255982
 Vib (Bot)   11  0.660713D+00         -0.179987         -0.414435
 Vib (Bot)   12  0.659060D+00         -0.181075         -0.416941
 Vib (Bot)   13  0.605579D+00         -0.217829         -0.501570
 Vib (Bot)   14  0.561943D+00         -0.250308         -0.576356
 Vib (Bot)   15  0.560430D+00         -0.251479         -0.579051
 Vib (Bot)   16  0.442279D+00         -0.354303         -0.815814
 Vib (Bot)   17  0.441159D+00         -0.355405         -0.818349
 Vib (Bot)   18  0.440512D+00         -0.356042         -0.819817
 Vib (Bot)   19  0.367474D+00         -0.434773         -1.001102
 Vib (Bot)   20  0.366702D+00         -0.435687         -1.003207
 Vib (Bot)   21  0.323308D+00         -0.490384         -1.129150
 Vib (Bot)   22  0.307608D+00         -0.512003         -1.178930
 Vib (Bot)   23  0.278770D+00         -0.554754         -1.277369
 Vib (Bot)   24  0.278152D+00         -0.555717         -1.279586
 Vib (V=0)       0.142506D+05          4.153832          9.564552
 Vib (V=0)    1  0.314478D+01          0.497590          1.145744
 Vib (V=0)    2  0.305548D+01          0.485079          1.116935
 Vib (V=0)    3  0.284818D+01          0.454567          1.046680
 Vib (V=0)    4  0.198280D+01          0.297278          0.684508
 Vib (V=0)    5  0.197678D+01          0.295958          0.681469
 Vib (V=0)    6  0.180504D+01          0.256486          0.590581
 Vib (V=0)    7  0.153814D+01          0.186995          0.430572
 Vib (V=0)    8  0.152900D+01          0.184409          0.424617
 Vib (V=0)    9  0.150671D+01          0.178030          0.409929
 Vib (V=0)   10  0.142158D+01          0.152773          0.351772
 Vib (V=0)   11  0.132858D+01          0.123387          0.284109
 Vib (V=0)   12  0.132726D+01          0.122956          0.283117
 Vib (V=0)   13  0.128532D+01          0.109011          0.251007
 Vib (V=0)   14  0.125218D+01          0.097668          0.224889
 Vib (V=0)   15  0.125105D+01          0.097276          0.223986
 Vib (V=0)   16  0.116754D+01          0.067272          0.154900
 Vib (V=0)   17  0.116680D+01          0.066996          0.154264
 Vib (V=0)   18  0.116637D+01          0.066837          0.153898
 Vib (V=0)   19  0.112051D+01          0.049417          0.113787
 Vib (V=0)   20  0.112006D+01          0.049240          0.113379
 Vib (V=0)   21  0.109542D+01          0.039582          0.091140
 Vib (V=0)   22  0.108705D+01          0.036248          0.083463
 Vib (V=0)   23  0.107246D+01          0.030382          0.069957
 Vib (V=0)   24  0.107216D+01          0.030260          0.069677
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.182104D+07          6.260319         14.414918
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000006233    0.000003792    0.000013588
      2        6           0.000003663   -0.000022719    0.000009299
      3        7           0.000016343   -0.000009128    0.000049379
      4       45           0.000039110   -0.000051583   -0.000155007
      5        7           0.000040785   -0.000006110    0.000005553
      6        7           0.000004408    0.000051506    0.000029114
      7        6           0.000003792    0.000000458    0.000019055
      8        6          -0.000007472    0.000016456   -0.000001446
      9        7          -0.000023816    0.000059023    0.000043525
     10        7          -0.000003878   -0.000037462    0.000058952
     11        6          -0.000027452   -0.000006994    0.000040184
     12        6          -0.000019286   -0.000022559    0.000041811
     13        7           0.000004558   -0.000033502   -0.000013665
     14        1          -0.000000986   -0.000000830   -0.000001116
     15        1          -0.000024741    0.000020333   -0.000000892
     16        1           0.000000146   -0.000002592   -0.000000369
     17        1          -0.000018254   -0.000012697   -0.000008347
     18        1           0.000001830    0.000002303    0.000003182
     19        1          -0.000011340   -0.000020433   -0.000006881
     20        1           0.000000357    0.000001881    0.000002761
     21        1           0.000023155    0.000011700    0.000010013
     22        1          -0.000003201    0.000002074   -0.000005230
     23        1          -0.000000702   -0.000007617   -0.000018032
     24        1          -0.000001547   -0.000001040   -0.000004740
     25        1           0.000002588    0.000020177   -0.000002535
     26        1           0.000026413   -0.000010103   -0.000020290
     27        1           0.000002919   -0.000003638   -0.000010193
     28        1          -0.000023652   -0.000015070   -0.000019364
     29        1          -0.000005767    0.000006730   -0.000015040
     30        1          -0.000001896    0.000002553   -0.000010133
     31        1           0.000001823   -0.000023410    0.000004615
     32        1          -0.000015722    0.000029103   -0.000023818
     33        1           0.000003312   -0.000000904    0.000007734
     34        1          -0.000004599   -0.000001203    0.000008627
     35        1          -0.000001175    0.000026598   -0.000005987
     36        1           0.000008166    0.000046545   -0.000024386
     37        1           0.000005884   -0.000011638    0.000000077
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000155007 RMS     0.000024744
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.151983D+03 -0.424536D-01  0.246070D-02
      2  -0.424536D-01  0.152023D+03 -0.127827D-01
      3   0.246070D-02 -0.127827D-01  0.126312D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.286922D+00  0.824322D-01  0.985507D-01
      2   0.645755D-01 -0.285184D+00  0.834334D-01
      3  -0.884532D-01 -0.111640D+00 -0.444126D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.565828D+02  0.845552D+02  0.876244D-01
      2  -0.566557D+02 -0.845502D+02 -0.786422D-01
      3   0.728600D-01 -0.503871D-02 -0.898222D-02
      4   0.845167D+02 -0.565715D+02  0.384578D-02
      5  -0.516761D-01  0.468162D+01  0.133693D+00
      6  -0.463119D+01 -0.437159D-01 -0.105807D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.294384D+01 -0.961008D+00 -0.267032D+01 -0.112154D+01 -0.286278D+01
      2  -0.961008D+00 -0.475837D+01  0.116418D+01 -0.286278D+01  0.564589D+01
      3  -0.267032D+01  0.116418D+01  0.875871D+00  0.415431D+00 -0.328325D+01
                 6             7             8             9            10 
      1   0.415431D+00 -0.204583D+01  0.601033D+00  0.974960D+00 -0.158217D+01
      2  -0.328325D+01  0.601033D+00 -0.298507D+01  0.898877D+00  0.358183D+01
      3   0.630712D+00  0.974960D+00  0.898877D+00  0.766047D+00  0.331774D+01
                11            12            13            14            15 
      1   0.358183D+01  0.331774D+01  0.272883D+01  0.327003D+01  0.357536D+00
      2   0.491551D+01  0.107367D+01  0.327003D+01  0.626043D+00  0.264451D+01
      3   0.107367D+01 -0.591350D+00  0.357536D+00  0.264451D+01  0.925222D+00
                16            17            18            19            20 
      1   0.260733D+01  0.728663D+00 -0.590179D+00  0.651054D+00 -0.227923D+01
      2   0.728663D+00  0.245162D+01  0.113593D+01 -0.227923D+01 -0.288475D+01
      3  -0.590179D+00  0.113593D+01 -0.808248D+00 -0.197758D+01 -0.946467D+00
                21            22            23            24            25 
      1  -0.197758D+01 -0.366154D+01 -0.515767D+01 -0.205306D+01 -0.248947D+01
      2  -0.946467D+00 -0.515767D+01 -0.516975D+01 -0.443732D+01 -0.144581D+01
      3  -0.124363D+01 -0.205306D+01 -0.443732D+01 -0.213492D+01 -0.150774D+01
                26            27            28            29            30 
      1  -0.144581D+01 -0.150774D+01 -0.108798D+01 -0.154981D+01 -0.144069D-01
      2  -0.293267D+01 -0.179181D+01 -0.154981D+01  0.983879D+00 -0.178172D+01
      3  -0.179181D+01  0.148309D+01 -0.144069D-01 -0.178172D+01 -0.140934D-01
                31            32            33            34            35 
      1  -0.157777D+01  0.101469D+01  0.177492D+01  0.349686D-02 -0.552689D-02
      2   0.101469D+01  0.154036D+01 -0.215400D-01 -0.552689D-02 -0.779277D-02
      3   0.177492D+01 -0.215400D-01  0.134051D-02 -0.105875D-01 -0.459463D-02
                36            37            38            39            40 
      1  -0.105875D-01 -0.167162D+01  0.867943D+00  0.126657D+01  0.502682D+00
      2  -0.459463D-02  0.867943D+00  0.344474D+00  0.394304D+00  0.301160D+01
      3  -0.890612D-02  0.126657D+01  0.394304D+00  0.339456D+00 -0.743561D+00
                41            42            43            44            45 
      1   0.301160D+01 -0.743561D+00  0.150283D+01 -0.851032D+00  0.705786D+00
      2  -0.942101D+01  0.514187D+01 -0.851032D+00  0.387938D+01 -0.219909D+01
      3   0.514187D+01 -0.242011D+01  0.705786D+00 -0.219909D+01 -0.148139D+01
                46            47            48            49            50 
      1   0.349621D+01  0.483089D+01  0.403373D+01  0.272257D+01  0.328699D+01
      2   0.483089D+01  0.498004D+01  0.232927D+01  0.328699D+01  0.637278D+00
      3   0.403373D+01  0.232927D+01  0.196186D+01  0.120665D+01  0.239494D+01
                51            52            53            54            55 
      1   0.120665D+01  0.257715D+01  0.146275D+01  0.156815D+01  0.531437D+00
      2   0.239494D+01  0.146275D+01  0.287226D+01  0.173805D+01 -0.236909D+01
      3   0.150183D+01  0.156815D+01  0.173805D+01 -0.146218D+01 -0.246056D+01
                56            57            58            59            60 
      1  -0.236909D+01 -0.246056D+01 -0.383297D+01 -0.470924D+01 -0.973580D+00
      2  -0.362913D+01 -0.259211D+00 -0.470924D+01  0.660386D-01 -0.356206D+01
      3  -0.259211D+00 -0.993803D+00 -0.973580D+00 -0.356206D+01  0.496999D+00
                61            62            63            64            65 
      1  -0.221135D+01 -0.688501D+00 -0.121510D+01 -0.680754D+01  0.163885D+01
      2  -0.688501D+00 -0.281132D+01  0.419390D+00  0.163885D+01  0.209673D+01
      3  -0.121510D+01  0.419390D+00  0.791738D+00  0.345058D+01 -0.315645D+00
                66            67            68            69            70 
      1   0.345058D+01  0.362120D+01  0.217761D+01 -0.110569D+01  0.312797D+01
      2  -0.315645D+00  0.217761D+01 -0.236942D+01  0.253433D+01 -0.465908D+00
      3  -0.511283D+00 -0.110569D+01  0.253433D+01 -0.974942D+00 -0.762123D+00
                71            72            73            74            75 
      1  -0.465908D+00 -0.762123D+00  0.998632D+01 -0.145827D+01 -0.513342D+01
      2   0.192894D+01 -0.108315D+01 -0.145827D+01 -0.128275D+01  0.233868D+00
      3  -0.108315D+01 -0.764077D+00 -0.513342D+01  0.233868D+00  0.244968D+01
                76            77            78            79            80 
      1   0.116259D+01 -0.128161D+01 -0.871484D+00 -0.410214D+01  0.508858D+00
      2  -0.128161D+01  0.124329D+01 -0.130052D+01  0.508858D+00 -0.133183D+01
      3  -0.871484D+00 -0.130052D+01 -0.235001D-01  0.229160D+01 -0.405428D+00
                81            82            83            84            85 
      1   0.229160D+01 -0.217997D+00  0.147004D+01 -0.250536D+01  0.209533D+00
      2  -0.405428D+00  0.147004D+01 -0.622243D+01  0.236175D+01 -0.389365D+01
      3   0.146275D+01 -0.250536D+01  0.236175D+01 -0.122763D+01  0.124723D+01
                86            87            88            89            90 
      1  -0.389365D+01  0.124723D+01 -0.156004D+01  0.947240D+00 -0.800151D+00
      2   0.611485D+01 -0.386914D+01  0.947240D+00 -0.387946D+01  0.219268D+01
      3  -0.386914D+01  0.209862D+01 -0.800151D+00  0.219268D+01  0.145929D+01
                91            92            93            94            95 
      1  -0.143973D+01  0.164127D+01  0.220253D+01  0.590768D+00  0.439980D+01
      2   0.164127D+01  0.284108D+01  0.242049D+00  0.439980D+01 -0.521516D+01
      3   0.220253D+01  0.242049D+00  0.112175D+01 -0.457079D+00  0.381584D+01
                96            97            98            99           100 
      1  -0.457079D+00  0.185097D+01 -0.347509D+00  0.129775D+01  0.658067D+01
      2   0.381584D+01 -0.347509D+00  0.321689D+01 -0.102981D+00 -0.318998D+01
      3   0.442436D-01  0.129775D+01 -0.102981D+00 -0.734834D+00 -0.383138D+01
               101           102           103           104           105 
      1  -0.318998D+01 -0.383138D+01 -0.144562D+01 -0.258939D+01 -0.486764D+00
      2  -0.177432D+01  0.255269D+00 -0.258939D+01  0.792173D+00 -0.221143D+01
      3   0.255269D+00  0.103432D+00 -0.486764D+00 -0.221143D+01 -0.111671D+01
               106           107           108           109           110 
      1  -0.326970D+01  0.160193D+00  0.295366D+00 -0.789571D+01  0.308972D+01
      2   0.160193D+00 -0.180006D+01 -0.127934D+01  0.308972D+01  0.726158D+00
      3   0.295366D+00 -0.127934D+01  0.733338D+00  0.435769D+01 -0.103558D+01
               111           112           113           114           115 
      1   0.435769D+01  0.551853D+01 -0.233936D+00 -0.211276D+01  0.403026D+01
      2  -0.103558D+01 -0.233936D+00  0.479797D-01  0.205590D+01 -0.602895D+00
      3  -0.227155D+01 -0.211276D+01  0.205590D+01  0.921068D+00 -0.227598D+01
               116           117           118           119           120 
      1  -0.602895D+00 -0.227598D+01  0.108374D+02  0.495983D-01 -0.289261D+01
      2   0.135375D+01  0.494856D+00  0.495983D-01  0.100236D+01  0.597285D-01
      3   0.494856D+00 -0.145493D+01 -0.289261D+01  0.597285D-01  0.202331D+01
               121           122           123           124           125 
      1  -0.217240D+01  0.116328D+01  0.864311D+00 -0.293768D+01  0.671143D-01
      2   0.116328D+01  0.128228D+00 -0.783534D+00  0.671143D-01 -0.516302D+00
      3   0.864311D+00 -0.783534D+00 -0.261680D+00  0.246257D+01  0.165276D+00
               126           127           128           129           130 
      1   0.246257D+01 -0.541475D-01  0.680061D+00 -0.868199D+00  0.103210D+01
      2   0.165276D+00  0.680061D+00 -0.705560D+00  0.248439D+00  0.446541D+00
      3  -0.149241D+01 -0.868199D+00  0.248439D+00 -0.355442D+00 -0.128553D+00
               131           132           133           134           135 
      1   0.446541D+00 -0.128553D+00 -0.124274D+01 -0.363829D+00  0.375082D+00
      2   0.480587D+01 -0.223781D+01 -0.363829D+00 -0.184669D+01  0.176616D+01
      3  -0.223781D+01  0.230548D+01  0.375082D+00  0.176616D+01 -0.221403D+01
               136           137           138           139           140 
      1   0.573899D+01  0.297103D+01  0.171317D+01  0.450845D+01  0.399246D+01
      2   0.297103D+01  0.255121D+01  0.772300D+00  0.399246D+01  0.428607D+01
      3   0.171317D+01  0.772300D+00  0.145952D+01  0.152699D+01  0.201309D+01
               141           142           143           144           145 
      1   0.152699D+01  0.198509D+01  0.118444D+01  0.204247D+01  0.205415D+01
      2   0.201309D+01  0.118444D+01  0.145924D+01  0.135418D+01 -0.107139D+01
      3   0.143042D+01  0.204247D+01  0.135418D+01  0.146141D+01  0.132429D+01
               146           147           148           149           150 
      1  -0.107139D+01  0.132429D+01 -0.205941D+01  0.165290D+01 -0.864869D+00
      2   0.965142D+00 -0.461970D+00  0.165290D+01 -0.303168D+01  0.179249D+01
      3  -0.461970D+00  0.111268D+01 -0.864869D+00  0.179249D+01 -0.206206D+01
               151           152           153           154           155 
      1   0.181267D+01 -0.374488D+00  0.136936D+01 -0.226902D+01  0.182100D+01
      2  -0.374488D+00  0.129303D+01 -0.117142D+01  0.182100D+01 -0.199835D+01
      3   0.136936D+01 -0.117142D+01  0.222334D+01 -0.937815D+00  0.362385D+00
               156           157           158           159           160 
      1  -0.937815D+00  0.273069D+01 -0.387987D+01  0.108260D+01 -0.110232D+01
      2   0.362385D+00 -0.387987D+01  0.847054D+01 -0.274545D+01  0.107133D+01
      3  -0.831416D+00  0.108260D+01 -0.274545D+01  0.187421D+01 -0.139002D+01
               161           162           163           164           165 
      1   0.107133D+01 -0.139002D+01 -0.378096D+01 -0.896031D+00 -0.188215D+01
      2  -0.238216D+01  0.205879D+01 -0.896031D+00 -0.972992D+00 -0.394655D+00
      3   0.205879D+01 -0.148499D+01 -0.188215D+01 -0.394655D+00 -0.179462D+01
               166           167           168           169           170 
      1  -0.203367D+01 -0.126475D+01 -0.785422D+00 -0.200807D+01 -0.569529D-01
      2  -0.126475D+01 -0.145637D+01 -0.126820D+01 -0.569529D-01 -0.109679D+01
      3  -0.785422D+00 -0.126820D+01 -0.144238D+01 -0.169982D+01 -0.560464D+00
               171           172           173           174           175 
      1  -0.169982D+01 -0.972547D+01  0.325123D+01  0.292136D+01  0.116917D+01
      2  -0.560464D+00  0.325123D+01 -0.205258D+01 -0.834120D+00 -0.140146D+01
      3  -0.224541D+01  0.292136D+01 -0.834120D+00 -0.196177D+01 -0.840782D-01
               176           177           178           179           180 
      1  -0.140146D+01 -0.840782D-01  0.265183D+01 -0.874898D+00 -0.223571D+01
      2   0.151788D+01  0.797311D+00 -0.874898D+00  0.859233D+00  0.110725D+01
      3   0.797311D+00  0.563357D+00 -0.223571D+01  0.110725D+01  0.150105D+01
               181           182           183           184           185 
      1   0.110803D+01  0.103197D+01  0.113324D+01  0.914761D+00  0.666533D+00
      2   0.103197D+01  0.183876D+01  0.684560D+00  0.666533D+00  0.419156D+01
      3   0.113324D+01  0.684560D+00  0.118957D+01  0.306562D+00  0.201690D+01
               186           187           188           189           190 
      1   0.306562D+00  0.108973D+01 -0.644459D-01  0.319653D+00 -0.295822D+01
      2   0.201690D+01 -0.644459D-01  0.201219D+01  0.176977D+01 -0.343589D+01
      3   0.197861D+01  0.319653D+00  0.176977D+01  0.223757D+01 -0.168823D+01
               191           192           193           194           195 
      1  -0.343589D+01 -0.168823D+01 -0.221313D+01 -0.286822D+01 -0.748184D+00
      2  -0.462722D+01 -0.149338D+01 -0.286822D+01 -0.700018D+01 -0.200308D+01
      3  -0.149338D+01 -0.121786D+01 -0.748184D+00 -0.200308D+01 -0.164350D+01
               196           197           198           199           200 
      1  -0.114703D+01 -0.105746D+01 -0.105559D+01  0.352697D+01 -0.160257D+01
      2  -0.105746D+01 -0.231529D+01 -0.219409D+01 -0.160257D+01  0.185499D+01
      3  -0.105559D+01 -0.219409D+01 -0.145636D+01 -0.191747D+01  0.764330D+00
               201           202           203           204           205 
      1  -0.191747D+01 -0.805065D+00  0.949257D+00  0.369974D+00 -0.139063D+01
      2   0.764330D+00  0.949257D+00 -0.151522D+01 -0.118692D+01  0.428887D+00
      3   0.216135D+01  0.369974D+00 -0.118692D+01 -0.828084D+00  0.133910D+01
               206           207           208           209           210 
      1   0.428887D+00  0.133910D+01  0.367726D+00 -0.157068D+01  0.927100D+00
      2  -0.172580D+01 -0.119874D+01 -0.157068D+01  0.312699D+01 -0.109562D+01
      3  -0.119874D+01 -0.221901D+01  0.927100D+00 -0.109562D+01  0.506912D+00
               211           212           213           214           215 
      1  -0.111809D+01  0.102622D+01 -0.324641D+00  0.563147D+00 -0.370779D+00
      2   0.102622D+01 -0.103838D+02  0.275498D+01 -0.370779D+00  0.288456D+01
      3  -0.324641D+00  0.275498D+01 -0.197252D+01  0.144772D+00 -0.246683D+01
               216           217           218           219           220 
      1   0.144772D+00 -0.463882D+01 -0.841227D+00  0.217840D+01  0.246880D+00
      2  -0.246683D+01 -0.841227D+00 -0.117142D+01  0.315650D+00 -0.684544D+00
      3   0.148584D+01  0.217840D+01  0.315650D+00 -0.229746D+01 -0.665391D-01
               221           222           223           224           225 
      1  -0.684544D+00 -0.665391D-01  0.172096D+01  0.420743D+00 -0.169065D+01
      2  -0.344077D+00  0.906609D+00  0.420743D+00  0.137664D+01 -0.614941D+00
      3   0.906609D+00  0.477385D-01 -0.169065D+01 -0.614941D+00  0.221975D+01
               226           227           228           229           230 
      1   0.505362D+01 -0.159711D+01  0.731264D+00 -0.195077D+01  0.843299D+00
      2  -0.159711D+01  0.294109D+01 -0.109057D+01  0.843299D+00 -0.326706D+00
      3   0.731264D+00 -0.109057D+01  0.123763D+01 -0.125656D+00 -0.647306D+00
               231           232           233           234           235 
      1  -0.125656D+00  0.651330D-01  0.927582D-01  0.567470D+00  0.614450D+00
      2  -0.647306D+00  0.927582D-01 -0.190132D+01  0.504820D+00 -0.354653D+00
      3  -0.666064D-01  0.567470D+00  0.504820D+00  0.223252D+00  0.665791D+00
               236           237           238           239           240 
      1  -0.354653D+00  0.665791D+00 -0.465489D+00 -0.472027D+00  0.244306D+00
      2  -0.989501D+00  0.312979D+00 -0.472027D+00  0.150647D+01 -0.289370D+00
      3   0.312979D+00 -0.200192D+00  0.244306D+00 -0.289370D+00  0.737140D+00
               241           242           243           244           245 
      1   0.965435D+00 -0.334021D-01  0.896501D+00 -0.631225D+01 -0.362221D+00
      2  -0.334021D-01  0.180205D+01 -0.101480D+01 -0.362221D+00 -0.192676D+01
      3   0.896501D+00 -0.101480D+01  0.697081D+01 -0.955707D+00 -0.416157D+00
               246           247           248           249           250 
      1  -0.955707D+00  0.169821D+00  0.126970D+00  0.535276D+00  0.318293D+00
      2  -0.416157D+00  0.126970D+00  0.849081D+00  0.874814D+00  0.755267D+00
      3  -0.116631D+01  0.535276D+00  0.874814D+00  0.419500D+00 -0.305879D+00
               251           252           253           254           255 
      1   0.755267D+00 -0.305879D+00 -0.530873D+00  0.695116D+00 -0.319423D+00
      2   0.158266D+01  0.701693D+00  0.695116D+00  0.128319D+01  0.566577D+00
      3   0.701693D+00 -0.208560D+00 -0.319423D+00  0.566577D+00  0.458802D+00
               256           257           258           259           260 
      1   0.384509D+00  0.832519D+00  0.497827D+00 -0.111143D+01 -0.327985D+00
      2   0.832519D+00  0.428761D+00 -0.485628D-01 -0.327985D+00 -0.166376D+01
      3   0.497827D+00 -0.485628D-01  0.616311D+00 -0.123012D+01 -0.592502D+00
               261           262           263           264           265 
      1  -0.123012D+01 -0.366419D+01 -0.183235D+01  0.217036D+00 -0.345002D+01
      2  -0.592502D+00 -0.183235D+01 -0.226816D+01  0.421523D+00 -0.962519D+00
      3  -0.698142D+01  0.217036D+00  0.421523D+00 -0.674851D+00  0.135434D+01
               266           267           268           269           270 
      1  -0.962519D+00  0.135434D+01 -0.147190D+01  0.801532D+00  0.147717D+00
      2  -0.228630D+01 -0.130624D+00  0.801532D+00 -0.347589D+00 -0.738353D+00
      3  -0.130624D+00 -0.102219D+01  0.147717D+00 -0.738353D+00  0.224480D+00
               271           272           273           274           275 
      1   0.137805D+01 -0.979867D+00 -0.289344D+00 -0.461442D+00 -0.444634D+00
      2  -0.979867D+00 -0.269712D+00  0.302657D+00 -0.444634D+00  0.268148D+00
      3  -0.289344D+00  0.302657D+00  0.729228D+00  0.226262D+00  0.681307D+00
               276           277           278           279           280 
      1   0.226262D+00  0.160890D+01 -0.340350D+00 -0.131371D+01  0.189205D+01
      2   0.681307D+00 -0.340350D+00  0.114145D+01 -0.278724D+00  0.530562D+00
      3  -0.199596D+00 -0.131371D+01 -0.278724D+00  0.694952D+01  0.357208D+00
               281           282           283           284           285 
      1   0.530562D+00  0.357208D+00  0.208383D+01  0.164065D+01 -0.330077D+00
      2   0.312011D+01 -0.130211D+01  0.164065D+01  0.457612D+01 -0.449898D+00
      3  -0.130211D+01  0.949146D+00 -0.330077D+00 -0.449898D+00  0.810560D+00
               286           287           288           289           290 
      1   0.563845D+00 -0.940953D+00  0.765637D+00 -0.375236D+00  0.184604D+00
      2  -0.940953D+00  0.129839D+01 -0.737275D-01  0.184604D+00  0.698731D+00
      3   0.765637D+00 -0.737275D-01 -0.221050D+00 -0.594262D+00 -0.340477D+00
               291           292           293           294           295 
      1  -0.594262D+00 -0.536077D-01  0.119231D+01 -0.419695D+00 -0.124613D+01
      2  -0.340477D+00  0.119231D+01 -0.100298D+01  0.203074D+00  0.394918D+00
      3   0.307143D+00 -0.419695D+00  0.203074D+00 -0.694731D+00  0.109921D+00
               296           297           298           299           300 
      1   0.394918D+00  0.109921D+00 -0.105477D+01 -0.192445D+00 -0.849475D+00
      2  -0.151948D+01  0.134572D+01 -0.192445D+00 -0.102189D+01 -0.770173D+00
      3   0.134572D+01 -0.695179D+01 -0.849475D+00 -0.770173D+00 -0.562776D+00
               301           302           303           304           305 
      1   0.180953D+01 -0.220560D+00  0.198406D+00 -0.136427D+01 -0.888290D+00
      2  -0.220560D+00  0.626764D+01  0.925996D+00 -0.888290D+00 -0.520298D+00
      3   0.198406D+00  0.925996D+00  0.110562D+01 -0.718329D+00  0.220897D+00
               306           307           308           309           310 
      1  -0.718329D+00 -0.665593D-01 -0.678788D+00  0.205104D+00 -0.108992D+01
      2   0.220897D+00 -0.678788D+00 -0.632913D+00 -0.504830D+00 -0.998131D+00
      3   0.212736D+00  0.205104D+00 -0.504830D+00 -0.555350D+00 -0.581664D+00
               311           312           313           314           315 
      1  -0.998131D+00 -0.581664D+00  0.157700D+01  0.379302D+00  0.421667D+00
      2   0.241518D+00  0.185832D+00  0.379302D+00  0.120018D+01  0.128542D+01
      3   0.185832D+00 -0.536022D+00  0.421667D+00  0.128542D+01  0.697444D+01
               316           317           318           319           320 
      1   0.106195D+01 -0.124252D+01  0.443614D+00 -0.324589D+01  0.166012D+01
      2  -0.124252D+01  0.230279D+01  0.287917D+00  0.166012D+01 -0.431292D+01
      3   0.443614D+00  0.287917D+00  0.235511D+00  0.123408D+01 -0.538230D+00
               321           322           323           324           325 
      1   0.123408D+01  0.187895D+01  0.168280D+00 -0.416676D+00 -0.168966D+01
      2  -0.538230D+00  0.168280D+00 -0.582132D-01 -0.631319D+00  0.129407D+00
      3  -0.121429D+01 -0.416676D+00 -0.631319D+00 -0.229515D+00  0.341285D+00
               326           327           328           329           330 
      1   0.129407D+00  0.341285D+00  0.651878D+00  0.571226D+00 -0.179353D+00
      2   0.615573D+00 -0.110716D+00  0.571226D+00 -0.416212D+00 -0.725558D+00
      3  -0.110716D+00 -0.751464D+00 -0.179353D+00 -0.725558D+00  0.104850D+00
               331           332           333 
      1  -0.180025D+01 -0.722982D-01  0.112282D+01
      2  -0.722982D-01 -0.970542D+00 -0.757450D+00
      3   0.112282D+01 -0.757450D+00 -0.696133D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.106071D+02 -0.695099D+01  0.578548D+01 -0.539985D+01 -0.275552D+01
      2   0.137799D+00  0.289723D+01  0.294792D+01  0.165589D+01  0.254747D+01
      3  -0.967726D+01  0.326391D+01  0.858589D+01  0.619884D+01  0.936838D+01
                 6             7             8             9            10 
      1  -0.810761D+01  0.119717D+01 -0.281498D+01  0.208229D+01  0.421331D+01
      2   0.676393D+00  0.908341D-01  0.725810D-01 -0.134373D+01 -0.301881D+01
      3   0.980592D+00  0.962665D+01  0.254170D+01 -0.441041D+01  0.103248D+02
                11            12            13            14            15 
      1  -0.812359D+01 -0.689779D+01 -0.615286D+01  0.946288D+01 -0.563460D+01
      2   0.180547D+01  0.554258D+01  0.237440D+01  0.269700D+00  0.309323D+00
      3  -0.481874D+01 -0.756618D+01 -0.203827D+01 -0.989242D+01  0.451229D+01
                16            17            18            19            20 
      1  -0.218718D+01 -0.257476D+01 -0.256281D+01 -0.639566D+00 -0.230976D+01
      2   0.942538D+00  0.757802D+00 -0.432444D+00  0.223972D+02  0.162765D+02
      3  -0.786217D+01  0.647233D+01  0.457494D+01 -0.233222D+02 -0.192655D+02
                21            22            23            24            25 
      1   0.283490D+01 -0.652593D+01 -0.222192D+02 -0.189555D+01  0.129739D+02
      2   0.998834D+01  0.512285D+01 -0.240295D+01 -0.534922D+01 -0.124087D+02
      3  -0.971265D+01  0.522853D+01  0.230929D+02  0.775799D+01 -0.221505D+01
                26            27            28            29            30 
      1   0.206796D+02  0.200644D+02  0.226413D+01  0.348159D+01  0.674228D-01
      2  -0.167490D+02 -0.204181D+02  0.320787D+01 -0.199303D+01 -0.119874D+02
      3   0.520736D+01  0.172893D+01 -0.143525D+00  0.154794D+02 -0.253451D+00
                31            32            33            34            35 
      1   0.373699D+01 -0.254095D+01  0.121802D+02  0.874892D-01 -0.138024D+02
      2  -0.211929D+01 -0.354919D+01  0.735104D-01  0.139538D+02  0.109747D+00
      3  -0.152453D+02 -0.313683D+00 -0.134601D+00 -0.107611D+00  0.183746D+00
                36            37            38            39            40 
      1   0.553158D-01  0.492735D+01 -0.224601D+01  0.125743D+01 -0.185781D+01
      2  -0.210138D+00  0.100101D+02 -0.228461D+02  0.117644D+02 -0.109583D+02
      3  -0.119658D+00  0.114933D+02 -0.338356D+02  0.120134D+02 -0.937626D+01
                41            42            43            44            45 
      1   0.240136D+02 -0.130876D+00 -0.567558D+01  0.300989D+02 -0.262284D+02
      2  -0.720236D-01  0.114762D+01 -0.306519D+01  0.929800D+01 -0.110255D+02
      3  -0.110338D+02  0.324709D+01  0.405938D+01  0.365979D+01 -0.163368D+01
                46            47            48            49            50 
      1   0.198996D+01 -0.277829D+01  0.621661D+01 -0.134032D+02 -0.249396D+02
      2   0.211229D+02  0.867655D+01  0.296119D+01  0.315873D+01 -0.103746D+01
      3  -0.240888D+02 -0.111800D+02 -0.878413D+01  0.132247D+02  0.243885D+02
                51            52            53            54            55 
      1  -0.888856D+01  0.172202D+02  0.162921D+02  0.227260D+02  0.170191D+01
      2  -0.372985D+01 -0.168296D+02 -0.134959D+02 -0.171287D+02 -0.106595D+02
      3   0.870472D+01 -0.530368D+01  0.153925D+01 -0.172861D+01  0.863709D+01
                56            57            58            59            60 
      1  -0.345432D+01 -0.204253D+00 -0.312047D+01  0.277586D+01 -0.656262D+01
      2   0.488183D+01  0.463916D+01  0.670258D+01 -0.236004D+01  0.688669D+01
      3   0.460868D+01 -0.539592D+01  0.774469D+01 -0.904707D+01  0.719177D+01
                61            62            63            64            65 
      1  -0.871414D+00 -0.133600D+01  0.888072D-01 -0.201137D+01 -0.251107D+01
      2   0.187160D+01  0.222012D+01  0.253564D+01  0.947128D+00  0.393075D+01
      3  -0.719466D+01  0.713650D+01 -0.449486D+01 -0.791754D+01 -0.867960D+01
                66            67            68            69            70 
      1  -0.144417D+01 -0.389840D+01 -0.232469D+01 -0.236317D+01 -0.484415D+00
      2   0.872014D+01  0.525622D+01  0.121039D+02 -0.521946D+01  0.299616D+01
      3   0.746118D-01 -0.571379D+01  0.841844D+01 -0.889143D+01 -0.136213D+01
                71            72            73            74            75 
      1  -0.235934D-01  0.160636D+01 -0.113214D+01  0.116868D+02  0.241153D+00
      2  -0.794963D+00 -0.187427D+01 -0.243992D+02  0.853240D+00  0.229922D+00
      3  -0.100037D+02  0.441446D+01  0.534104D+01  0.115120D+02 -0.177021D+01
                76            77            78            79            80 
      1   0.232348D+02 -0.469110D+01 -0.114753D+02 -0.571543D+01  0.161878D+01
      2   0.281451D+01 -0.539630D+01 -0.280409D+01 -0.316811D+02  0.188329D+01
      3   0.356575D+02 -0.536300D+01 -0.121759D+02 -0.329688D+01 -0.449177D+01
                81            82            83            84            85 
      1   0.764334D+01  0.178891D+01  0.257894D+01 -0.676021D+01 -0.505287D+01
      2   0.274983D+02  0.141532D+02 -0.172944D+02  0.751975D+01 -0.805861D+01
      3   0.178104D+01  0.177365D+02 -0.288372D+02  0.115908D+02 -0.422334D+01
                86            87            88            89            90 
      1   0.272932D+02 -0.446406D+01 -0.129443D+02  0.274641D+02 -0.275912D+02
      2  -0.420416D+01  0.435183D+01 -0.586634D+01  0.925450D+01 -0.713534D+01
      3  -0.179753D+02  0.461870D+01  0.555831D+01 -0.610118D+00  0.165396D+01
                91            92            93            94            95 
      1  -0.915529D+01 -0.233356D+01 -0.145949D+01 -0.300972D+01 -0.199604D+00
      2  -0.111112D+02  0.134562D+01  0.237759D+01 -0.883852D+00  0.650134D+00
      3  -0.183338D+01  0.925003D+01  0.739208D+01  0.119079D+02  0.248436D+01
                96            97            98            99           100 
      1  -0.871250D+01  0.722708D+00 -0.244109D+01  0.832405D+00 -0.298825D+00
      2  -0.513792D+01  0.762323D+00 -0.207911D+01  0.223836D+01 -0.483005D+00
      3   0.440849D+01  0.923727D+01  0.346795D+01  0.445897D+01  0.460459D+00
               101           102           103           104           105 
      1  -0.906637D+00  0.423545D+01 -0.279276D+01  0.968169D+01 -0.206925D+01
      2   0.165067D+01  0.907900D+01  0.783820D+00  0.111548D+02  0.230893D+01
      3  -0.120981D+02 -0.340867D+01 -0.917064D+01 -0.796906D+00 -0.819297D+01
               106           107           108           109           110 
      1   0.165411D+01 -0.440064D+00 -0.206181D+01  0.411881D+01  0.964335D+01
      2   0.261172D+01 -0.433248D+00 -0.101825D+01 -0.264252D+02  0.286736D+01
      3  -0.227264D+01 -0.971110D+01 -0.431941D+01  0.129116D+02  0.824547D+01
               111           112           113           114           115 
      1  -0.371900D+01  0.196885D+02 -0.101801D+02 -0.885655D+01 -0.600787D+01
      2   0.297646D+01 -0.341623D+01 -0.319538D+01  0.632768D+01 -0.299401D+02
      3  -0.299263D+01  0.326477D+02 -0.128464D+02 -0.120162D+02  0.138219D+01
               116           117           118           119           120 
      1   0.337754D+01  0.342504D+01  0.180995D+01 -0.161336D+01 -0.204715D+01
      2   0.988113D+01  0.282962D+02  0.186298D+01  0.924296D+00  0.587993D+01
      3  -0.544987D+01 -0.181508D+01  0.815785D+01 -0.540249D+01 -0.325924D+01
               121           122           123           124           125 
      1  -0.290494D+00  0.109504D+01 -0.351267D+00 -0.141956D+01  0.140284D+01
      2  -0.287462D+01 -0.173452D+01  0.379791D+00  0.251343D+01 -0.172908D+00
      3  -0.228023D+01  0.178260D+01  0.237196D+01 -0.113656D+01  0.294149D+01
               126           127           128           129           130 
      1   0.741686D+00  0.543303D+00  0.104226D+01  0.730281D+00 -0.269631D+00
      2  -0.260229D+01 -0.474513D+01  0.167832D+01 -0.222262D+01  0.927909D+00
      3   0.113299D+01 -0.382883D+01  0.368401D+01 -0.209988D+01  0.244851D+01
               131           132           133           134           135 
      1  -0.312739D+01 -0.192966D+01 -0.125229D+00  0.107115D+01  0.917587D+00
      2  -0.681322D+01  0.755011D+01 -0.188182D+01  0.557514D+01 -0.644747D+01
      3  -0.153194D+02  0.722006D+01 -0.482227D+00  0.587083D+01 -0.582839D+01
               136           137           138           139           140 
      1   0.227221D+00  0.103364D+01 -0.153400D+01  0.234464D+01  0.215535D+01
      2   0.674747D+00  0.697541D+00  0.498934D+01 -0.306367D+01  0.104343D+01
      3  -0.205198D+01 -0.559820D+01 -0.114485D+01 -0.266065D+01 -0.805006D+01
               141           142           143           144           145 
      1  -0.121593D+01 -0.909735D+00  0.582276D+00 -0.958270D+00 -0.298016D+01
      2   0.322552D+01  0.156453D+01  0.244719D+01  0.239352D+01  0.308162D+01
      3  -0.395804D+01  0.962334D+00 -0.295800D+01 -0.106273D+01  0.514837D+01
               146           147           148           149           150 
      1   0.107088D+01 -0.128148D+01  0.252329D+01 -0.612044D+01  0.289926D+01
      2   0.374431D+00  0.255884D+01  0.494638D+00  0.444151D+01 -0.702196D+01
      3  -0.437082D+01  0.279019D+01 -0.550122D+01  0.139408D+02 -0.699516D+01
               151           152           153           154           155 
      1  -0.159640D+01  0.417273D+01 -0.319793D+01  0.132507D+01 -0.719156D+00
      2   0.118006D+01 -0.387333D+01  0.574221D+01  0.131115D+01 -0.110490D+01
      3   0.315686D+01 -0.505156D+01  0.585126D+01  0.805641D-01 -0.259849D+01
               156           157           158           159           160 
      1   0.219632D+01  0.210926D+01 -0.279554D+01 -0.346609D+01  0.115793D+01
      2   0.288673D+01  0.216161D+01  0.126462D+01 -0.384024D+01  0.622556D-01
      3  -0.244177D+00  0.723611D+00  0.997361D+01 -0.397906D+01 -0.199208D+01
               161           162           163           164           165 
      1  -0.986886D+00  0.183212D+01  0.545150D+01  0.153731D+01  0.393077D+01
      2  -0.268895D+01  0.186737D+01  0.931645D+00 -0.503979D+00  0.362102D+01
      3  -0.215167D+01  0.107006D+01 -0.983674D+01 -0.585412D+01 -0.511158D+01
               166           167           168           169           170 
      1   0.289489D+01  0.582405D+01  0.412419D+01  0.370967D+01  0.416966D+01
      2  -0.115316D+01  0.252742D+01  0.423056D+01  0.111816D+01  0.170317D+01
      3  -0.707706D+01 -0.920911D+01 -0.538299D+01 -0.469433D+01 -0.338247D+01
               171           172           173           174           175 
      1   0.515907D+01 -0.143394D+01 -0.193816D+01  0.362096D+01  0.799490D+00
      2   0.417978D+01  0.286426D+01 -0.186384D+01  0.419353D+01  0.136177D+01
      3  -0.576235D+01 -0.100811D+02 -0.200712D+01  0.390359D+01  0.961951D+00
               176           177           178           179           180 
      1  -0.133002D+01 -0.199544D+01  0.252206D+01  0.456472D+00 -0.167972D+01
      2  -0.166818D+01 -0.196028D+01  0.154145D+01 -0.962043D+00 -0.214874D+01
      3  -0.152183D+00  0.963188D+00  0.188679D+01  0.232176D+01 -0.112115D+01
               181           182           183           184           185 
      1  -0.212675D+01  0.134756D+01 -0.320574D+01  0.443176D+00 -0.331571D-01
      2  -0.580897D+01 -0.262201D+01 -0.401931D+01 -0.144904D+01 -0.610664D+01
      3   0.786782D+01  0.664684D+01  0.467815D+01  0.552397D+01  0.115002D+02
               186           187           188           189           190 
      1  -0.359746D+01 -0.994190D+00 -0.798705D+00 -0.342903D+01 -0.102576D+01
      2  -0.498873D+01 -0.377223D+01 -0.439122D+01 -0.563450D+01 -0.183829D+01
      3   0.582187D+01  0.272121D+01  0.510572D+01  0.574872D+01  0.674041D+01
               191           192           193           194           195 
      1   0.348095D+01 -0.261989D+01 -0.633459D+00 -0.509088D+00 -0.555957D+01
      2  -0.212683D+01  0.665973D+00 -0.128497D+01 -0.655824D+00  0.972812D+00
      3   0.307038D+01  0.370109D+01  0.617155D+01  0.321462D+01  0.158055D+01
               196           197           198           199           200 
      1  -0.201700D+01 -0.174799D+01 -0.246373D+01 -0.496519D+01 -0.390643D+00
      2  -0.987882D+00  0.562699D+00  0.657685D+00  0.582702D+01 -0.213615D+01
      3   0.296351D+01 -0.816066D+00  0.974184D+00 -0.148449D+02  0.415124D+01
               201           202           203           204           205 
      1   0.754908D+01 -0.372769D+00 -0.361034D+01 -0.162440D+01  0.451797D+01
      2  -0.202197D+01 -0.693404D+00  0.203753D+01  0.677049D+00 -0.376524D+01
      3   0.714644D+01  0.308751D+01 -0.400690D+01 -0.184542D+01  0.535556D+01
               206           207           208           209           210 
      1  -0.692461D+00 -0.607832D+01  0.154872D+01  0.321841D+01  0.354587D+00
      2   0.957308D+00  0.242028D+01 -0.117179D+01  0.801557D+00  0.141582D+00
      3  -0.246161D+01 -0.585253D+01 -0.296458D+01  0.303776D+01 -0.273459D+01
               211           212           213           214           215 
      1  -0.772265D+00 -0.134952D+01 -0.612025D+01  0.639372D+00 -0.262145D+01
      2   0.161288D+01 -0.174195D+01  0.130652D+01 -0.147294D+01  0.892587D+00
      3   0.615164D+01 -0.707274D+01  0.299087D+01 -0.298868D+01  0.722843D+00
               216           217           218           219           220 
      1   0.261638D+01  0.645942D+01 -0.649270D+00 -0.781435D+01 -0.126157D+01
      2  -0.373800D+00  0.403742D+01  0.659134D+00  0.100566D+01 -0.709592D+00
      3  -0.106058D+01  0.156555D+02 -0.837028D+00 -0.722060D+01 -0.200410D+01
               221           222           223           224           225 
      1   0.442980D+01  0.130775D+01 -0.556444D+01  0.113723D+01  0.650992D+01
      2  -0.470101D-01 -0.316354D+00 -0.179158D+01  0.165136D+00 -0.985582D-01
      3   0.304147D+01  0.116145D+01 -0.581610D+01 -0.201492D+00  0.578136D+01
               226           227           228           229           230 
      1  -0.656024D+00  0.402803D+01  0.642291D+00  0.579360D+00  0.118457D+01
      2  -0.904380D+01  0.424953D+01 -0.714012D+00  0.109243D+01  0.583579D+00
      3  -0.119831D+02  0.222317D+01 -0.242688D+01  0.222789D+01  0.138928D+00
               231           232           233           234           235 
      1  -0.203170D+01  0.218992D+01 -0.209452D+01  0.516049D+00  0.180314D+01
      2  -0.889428D+00  0.177631D+01 -0.271413D+01 -0.708597D-01  0.290222D+00
      3  -0.642950D+00  0.228088D+01 -0.131191D+01 -0.222604D+00 -0.154859D+00
               236           237           238           239           240 
      1   0.408981D+00 -0.911682D+00  0.166409D+01 -0.119638D+01  0.392884D+01
      2   0.301767D+00 -0.120053D+01  0.105664D-01 -0.277242D+01  0.215545D+01
      3  -0.800471D+00 -0.165743D+01  0.379647D+00 -0.183641D+01  0.131989D+00
               241           242           243           244           245 
      1   0.268460D+01  0.339976D+00  0.153719D+02 -0.174142D+01  0.248338D+01
      2  -0.145553D+01 -0.156155D+01  0.411899D+01 -0.952615D+01 -0.104811D+01
      3  -0.180076D+01 -0.168393D+01 -0.161412D+01  0.117277D+02 -0.276014D+01
               246           247           248           249           250 
      1  -0.137461D+01  0.493948D+00 -0.199704D+01 -0.111932D+01 -0.151807D+01
      2   0.281373D+00  0.321089D+01  0.203702D+01  0.164413D+01  0.359393D+01
      3   0.193783D+01 -0.278127D+01  0.576991D-01 -0.154380D+01 -0.271535D+01
               251           252           253           254           255 
      1  -0.372706D+00 -0.508404D+00 -0.688463D+00  0.497708D+00  0.142759D+01
      2   0.208812D+01  0.199655D+00 -0.377309D-01 -0.167889D+01 -0.266015D+01
      3  -0.290811D+00  0.177993D+00  0.267491D+00 -0.106825D+00  0.156874D+01
               256           257           258           259           260 
      1   0.181088D+01 -0.819782D+00  0.245407D+01 -0.245502D+01  0.205294D+01
      2  -0.188806D+01 -0.204691D+01 -0.270486D+01  0.198634D+00  0.128963D+01
      3   0.105286D+01  0.174068D+01 -0.502992D+00  0.103168D+01 -0.224108D+01
               261           262           263           264           265 
      1  -0.126592D+02 -0.288677D+01 -0.328894D+01  0.679308D+00 -0.432256D+01
      2   0.969176D+01  0.306905D+01  0.217676D+01  0.204516D+01  0.671720D+01
      3   0.164717D+01 -0.474065D+01 -0.633905D+01  0.623154D+00 -0.638138D+01
               266           267           268           269           270 
      1  -0.447658D+01  0.664818D+00 -0.133256D+01  0.245260D+00 -0.292775D+00
      2   0.597479D+00 -0.947477D+00  0.411676D+01  0.806936D+00 -0.423938D+00
      3  -0.688977D+01  0.242882D+01 -0.226297D+01 -0.131051D+01 -0.221782D+00
               271           272           273           274           275 
      1  -0.123052D+01  0.116832D+01  0.214391D+00  0.257106D+00 -0.126414D+01
      2   0.222178D+01 -0.811830D+00 -0.455473D+01 -0.172728D+01 -0.155137D+01
      3  -0.125688D+01  0.263088D+00  0.962491D+00  0.141622D+01 -0.748632D+00
               276           277           278           279           280 
      1   0.591700D+00 -0.134959D-01  0.301546D+01 -0.413074D+01  0.839513D-01
      2   0.103900D+01  0.125662D+01  0.115020D+01 -0.153633D+02  0.372607D+01
      3   0.139191D+01 -0.557789D+00  0.237597D+01 -0.162655D+01  0.552824D+01
               281           282           283           284           285 
      1  -0.674625D+01  0.121698D+01 -0.208913D+01 -0.469629D+01 -0.179879D+01
      2   0.349279D+01 -0.406694D+00  0.317570D+01  0.324111D+01 -0.966080D+00
      3   0.640367D+01 -0.232256D+01  0.649483D+01  0.630515D+01 -0.882852D+00
               286           287           288           289           290 
      1  -0.226272D+00 -0.436453D+01  0.419481D+00  0.931120D+00  0.220040D+01
      2  -0.438591D+00  0.755320D+00  0.326860D+00  0.153970D+01  0.664132D-01
      3   0.981661D+00  0.244128D+01  0.217977D+00  0.952453D+00 -0.145692D+01
               291           292           293           294           295 
      1  -0.156299D+01  0.141760D+01 -0.199116D+01  0.438305D+01 -0.593687D+00
      2  -0.773510D+00 -0.947305D+00  0.778667D+00  0.296677D+00 -0.311856D+01
      3  -0.124177D+01 -0.299126D+00  0.103440D+01 -0.112589D+01 -0.245387D+01
               296           297           298           299           300 
      1  -0.131190D+01  0.146940D+02 -0.184158D+01 -0.458585D+01 -0.171287D+01
      2  -0.548394D+00  0.610319D+01  0.216721D+01 -0.100186D+01  0.776257D+00
      3   0.241487D+00  0.163060D+01 -0.982784D+00  0.420148D+01  0.174585D+01
               301           302           303           304           305 
      1  -0.330020D-01  0.883831D+01 -0.621300D+00 -0.164480D+01 -0.396680D+01
      2  -0.245892D+01  0.253096D+01  0.140894D+01 -0.624667D-03  0.105057D+01
      3   0.419363D+01 -0.108442D+02 -0.174876D+01 -0.769047D-01  0.269673D+01
               306           307           308           309           310 
      1  -0.258242D+00  0.137710D+01  0.230109D+01  0.260796D+01  0.196425D+01
      2   0.469745D+00  0.131537D+01 -0.145476D+01 -0.196460D+01 -0.192106D+00
      3  -0.159532D+00 -0.157315D+01 -0.121216D+01  0.697260D+00 -0.818060D-01
               311           312           313           314           315 
      1   0.483670D+00  0.321542D+01 -0.943345D+00 -0.635082D+00 -0.112487D+02
      2   0.458393D+00 -0.134898D+01 -0.253014D+01  0.209367D+01  0.112937D+02
      3  -0.413620D+00 -0.152591D+01  0.238678D+01 -0.729228D+00 -0.163281D+01
               316           317           318           319           320 
      1   0.287935D+00 -0.221389D+01  0.509543D+00 -0.477474D+01  0.796428D+01
      2  -0.407559D+00 -0.975204D+00  0.217285D+01 -0.478431D+01  0.112081D+01
      3   0.529521D+00 -0.379032D+01  0.318812D+00 -0.364255D+01  0.110657D+02
               321           322           323           324           325 
      1   0.816912D+00  0.259249D+01 -0.115858D+01  0.120310D+00  0.256812D+01
      2  -0.254870D+00  0.271445D+01 -0.204833D+01 -0.523719D+00  0.177375D+01
      3   0.242337D+01  0.157781D+01 -0.207150D+01  0.213735D+00  0.175109D+01
               326           327           328           329           330 
      1   0.550135D+00 -0.176883D+01  0.773738D-01 -0.213418D-01  0.872771D+00
      2  -0.115935D+01 -0.428629D+01  0.280820D-01 -0.203298D+01  0.511268D+00
      3  -0.170628D+00 -0.371168D+00  0.988728D+00  0.229031D+00  0.163832D+01
               331           332           333 
      1   0.134086D+01  0.198581D+01 -0.208501D+01
      2   0.185190D+00 -0.246762D+01 -0.157607D+02
      3   0.142356D+01  0.200170D+01  0.162847D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.708916D+01 -0.139118D+02  0.801649D+01 -0.948146D+01  0.249877D+02
      2   0.113292D+02  0.243765D+02 -0.898322D+01  0.177509D+02 -0.367794D+02
      3  -0.424005D+01 -0.104646D+02  0.966735D+00 -0.826943D+01  0.117917D+02
      4  -0.107411D+02  0.586684D+01  0.128428D+02  0.601728D+01  0.136276D+02
      5   0.858149D+01  0.544801D+00 -0.792925D+01 -0.282713D+01 -0.291966D+01
      6   0.142760D+02 -0.943049D+01 -0.550536D+01 -0.441859D+01  0.235400D+02
                 6             7             8             9            10 
      1  -0.122192D+02  0.610485D+01 -0.994741D+01 -0.125958D+01  0.115163D+02
      2   0.225823D+02 -0.655292D+01  0.184245D+02 -0.227066D+01 -0.161789D+02
      3  -0.103631D+02  0.448066D+00 -0.847708D+01  0.353024D+01  0.466260D+01
      4  -0.779515D+00  0.108814D+02 -0.204057D+01 -0.455513D+01  0.231094D+01
      5  -0.512189D+00 -0.665455D+01  0.307917D+00  0.613921D+00 -0.673433D+00
      6  -0.647583D+01 -0.419816D+01 -0.727325D+01 -0.516730D+01 -0.218892D+02
                11            12            13            14            15 
      1   0.998631D+01 -0.103100D+01  0.754254D+01 -0.245083D+01  0.753279D+01
      2  -0.232013D+02 -0.361146D+01 -0.187169D+02  0.208040D+00 -0.167131D+02
      3   0.132150D+02  0.464246D+01  0.111744D+02  0.224279D+01  0.918032D+01
      4  -0.231924D+02 -0.187613D+02 -0.194448D+02 -0.192614D+02 -0.580888D+01
      5  -0.859880D+01 -0.560223D+01 -0.366802D+01 -0.856208D+01  0.275962D+00
      6  -0.731086D+01  0.541485D+01 -0.433143D+01 -0.150608D+02 -0.882159D+01
                16            17            18            19            20 
      1  -0.160885D+01  0.546437D+01  0.162403D+01 -0.160329D+02 -0.426845D+01
      2  -0.198188D+01 -0.132615D+02 -0.497306D+01  0.105170D+02  0.687416D+01
      3   0.359074D+01  0.779718D+01  0.334902D+01  0.551584D+01 -0.260571D+01
      4  -0.155582D+02 -0.574551D+01  0.317304D+01 -0.675944D+01  0.620630D+01
      5  -0.531983D+01 -0.873087D+00  0.265106D+01 -0.386321D+01  0.295242D+01
      6   0.369422D+01 -0.811465D+01  0.489350D+01  0.515266D+01  0.296748D+01
                21            22            23            24            25 
      1  -0.201903D+01 -0.819803D+01 -0.898679D+01 -0.993945D+01 -0.922185D+00
      2  -0.105763D+00  0.129296D+02  0.731094D+01  0.112435D+02  0.156068D+01
      3   0.212479D+01 -0.473161D+01  0.167585D+01 -0.130401D+01 -0.638499D+00
      4   0.264761D+01  0.867613D+01  0.893876D+01  0.534662D+01  0.817095D+00
      5   0.503907D+01  0.192457D+01  0.923112D+01  0.206272D+01  0.411942D+01
      6   0.218355D+01  0.436059D+01  0.793223D+01  0.796455D+01  0.734866D-01
                26            27            28            29            30 
      1  -0.561430D+01  0.351543D+01 -0.106333D+02 -0.113012D+00 -0.508161D+01
      2   0.516771D+01  0.109978D+02  0.420659D+01  0.908387D-01  0.507166D+01
      3   0.446584D+00 -0.145132D+02  0.642675D+01  0.221737D-01  0.994448D-02
      4   0.414237D+01  0.252200D+00 -0.113932D+00 -0.724779D+01  0.339894D+01
      5   0.713413D+00 -0.364773D+01 -0.309400D+01  0.208787D+01 -0.477373D+01
      6   0.639150D+01 -0.625257D+01  0.209285D+01  0.315374D+01 -0.548260D-02
                31            32            33            34            35 
      1  -0.974223D-01  0.405899D+01  0.339696D+01 -0.720338D+01  0.489270D+01
      2   0.712295D-01 -0.104413D+02 -0.337369D+01  0.721217D+01 -0.488343D+01
      3   0.261928D-01  0.638228D+01 -0.232687D-01 -0.878583D-02 -0.926860D-02
      4  -0.741387D+01 -0.620628D-01  0.513727D+01  0.485060D+01  0.727511D+01
      5   0.205547D+01  0.316395D+01 -0.347524D-01  0.206304D+01 -0.212296D-01
      6   0.314370D+01 -0.215706D+01 -0.473514D+01 -0.114619D-01  0.215703D+01
                36            37            38            39            40 
      1   0.730753D+00 -0.160650D+01  0.230202D+01  0.711147D+00  0.673338D+01
      2   0.789668D+00 -0.587254D+01 -0.249753D+01 -0.328063D+01 -0.891953D+01
      3  -0.152042D+01  0.747904D+01  0.195516D+00  0.256948D+01  0.218616D+01
      4  -0.252144D-01  0.116228D+02 -0.456601D+01 -0.255931D+01 -0.653317D+01
      5   0.393503D-01 -0.453241D+01  0.253717D+01  0.391700D+01  0.405986D+01
      6  -0.269147D-01 -0.133519D+01 -0.169860D+00 -0.571567D+00  0.801780D+00
                41            42            43            44            45 
      1  -0.184800D+02  0.111683D+02  0.154078D+01  0.685187D+01  0.445477D+01
      2   0.187463D+02 -0.116381D+02 -0.822867D+00 -0.673512D+01  0.995478D+01
      3  -0.266258D+00  0.469788D+00 -0.717918D+00 -0.116753D+00 -0.144095D+02
      4   0.200019D+01 -0.300605D+01 -0.898689D-02 -0.101325D+01  0.248555D+01
      5   0.440221D+01 -0.399715D+00  0.407737D+01  0.232990D+00 -0.100688D+01
      6  -0.128474D+02  0.894792D+01  0.819730D+00  0.618952D+01  0.716381D+01
                46            47            48            49            50 
      1   0.298958D+01  0.926802D+01  0.957468D+01  0.393638D+01  0.136903D+02
      2  -0.560117D+01 -0.416635D+01 -0.801167D+01 -0.983810D+00 -0.181992D+02
      3   0.261158D+01 -0.510166D+01 -0.156301D+01 -0.295257D+01  0.450886D+01
      4   0.810916D+01  0.126449D+02  0.751018D+01  0.893081D+01 -0.561302D+00
      5   0.578883D+01  0.415497D+01  0.738439D+01  0.260108D+01  0.644989D+01
      6   0.927297D+01  0.407466D+01  0.238726D+01  0.490462D+01 -0.225304D+01
                51            52            53            54            55 
      1   0.440337D+00  0.380950D+01  0.185297D+01  0.107385D+02  0.765061D+01
      2  -0.239953D+01 -0.429057D+01 -0.133380D+01  0.369191D+01 -0.739070D+01
      3   0.195920D+01  0.481066D+00 -0.519166D+00 -0.144304D+02 -0.259913D+00
      4   0.379552D+01  0.522026D+01  0.177917D+01  0.116196D+01 -0.122615D+02
      5   0.243757D+01  0.621899D+01  0.335137D+00 -0.564245D+01 -0.127903D+02
      6   0.560523D+01  0.950650D+00  0.422637D+01 -0.439692D+01 -0.860365D+01
                56            57            58            59            60 
      1  -0.102543D+02 -0.147254D+02 -0.133299D+02 -0.201205D+02 -0.674229D+00
      2  -0.416531D+00  0.624596D+01  0.710711D+00  0.121297D+02 -0.529164D+01
      3   0.106708D+02  0.847942D+01  0.126192D+02  0.799073D+01  0.596587D+01
      4  -0.239428D+02 -0.635226D+01 -0.286042D+02 -0.815639D+01 -0.199729D+02
      5  -0.279116D+01 -0.951793D+01 -0.503279D+01 -0.233328D+02  0.507303D+01
      6  -0.498366D+01 -0.289380D+00 -0.103875D+02 -0.555143D+01 -0.507241D+01
                61            62            63            64            65 
      1  -0.112886D+02  0.540450D+00 -0.573477D+01 -0.432598D+02  0.821357D+01
      2   0.415758D+01 -0.513618D+01  0.232481D+01  0.293059D+02 -0.227182D+01
      3   0.713102D+01  0.459573D+01  0.340995D+01  0.139539D+02 -0.594175D+01
      4  -0.594378D+01 -0.161647D+02  0.205269D+01  0.239727D+01  0.108590D+02
      5  -0.849588D+01  0.313601D+01  0.433392D+01  0.250945D+02 -0.243523D+01
      6  -0.139075D+01 -0.510314D+01  0.318199D+01  0.757904D+00 -0.477115D+01
                66            67            68            69            70 
      1   0.233905D+02  0.151349D+02  0.182135D+02 -0.951381D+01  0.194407D+02
      2  -0.130881D+02 -0.688350D+01 -0.117235D+02  0.978115D+01 -0.110259D+02
      3  -0.103024D+02 -0.825137D+01 -0.649003D+01 -0.267334D+00 -0.841477D+01
      4   0.231548D+01  0.121331D+02 -0.543159D+01  0.108214D+02  0.465186D+00
      5  -0.562408D+01 -0.817362D+01  0.117271D+02 -0.526674D+01 -0.671120D+01
      6  -0.210690D+00 -0.205052D+01  0.999891D+01 -0.892543D+01  0.320881D+00
                71            72            73            74            75 
      1  -0.679173D+01 -0.103573D+01  0.182742D+02 -0.335182D+01 -0.100836D+02
      2   0.744908D+01 -0.248492D+01 -0.178100D+02  0.223201D+01  0.990971D+01
      3  -0.657342D+00  0.352065D+01 -0.464220D+00  0.111981D+01  0.173883D+00
      4   0.911305D+01 -0.451608D+01  0.876116D+01 -0.855385D+01 -0.548255D+01
      5  -0.417420D+01 -0.517900D+01 -0.130573D+02 -0.140242D+01  0.900731D+01
      6  -0.723377D+01 -0.498207D-01  0.166091D+01  0.495338D+01  0.305678D+00
                76            77            78            79            80 
      1   0.223532D+01 -0.935622D+01 -0.386303D+01 -0.617837D+01 -0.164796D+01
      2  -0.140087D+01  0.177585D+01  0.126868D+01  0.617616D+01  0.236748D+01
      3  -0.834450D+00  0.758037D+01  0.259435D+01  0.221030D-02 -0.719515D+00
      4  -0.524241D+01  0.884569D+01 -0.370671D+01 -0.273636D+01 -0.594433D+00
      5  -0.204904D+01 -0.999484D+00  0.109126D+00  0.608459D+01  0.115560D+01
      6   0.328596D+01 -0.363858D+01  0.390797D+01  0.534784D+00  0.424828D+01
                81            82            83            84            85 
      1   0.926049D+01 -0.427363D+00  0.563461D+01  0.254858D+01  0.699238D+01
      2   0.516439D+01 -0.524069D+01 -0.101406D+02 -0.376151D+00 -0.947677D+01
      3  -0.144249D+02  0.566805D+01  0.450601D+01 -0.217243D+01  0.248439D+01
      4   0.317016D+01 -0.129872D+01  0.968571D+01 -0.911903D+01  0.416425D+01
      5   0.721136D+01  0.156463D+01 -0.853818D-01  0.536588D+01  0.156608D+01
      6  -0.997236D-01 -0.534313D+01  0.735103D+01 -0.229587D+01  0.751381D+01
                86            87            88            89            90 
      1   0.573067D+01  0.175645D+01 -0.118159D+01  0.310864D+00  0.888618D+01
      2  -0.711618D+01 -0.723996D+00  0.499040D+00 -0.724165D+00  0.551563D+01
      3   0.138552D+01 -0.103245D+01  0.682547D+00  0.413301D+00 -0.144018D+02
      4  -0.180774D+02  0.775685D+01 -0.507293D+01  0.483573D+01 -0.336009D+01
      5   0.704449D+01 -0.233002D+01  0.542143D+01 -0.888234D+00 -0.347258D+01
      6  -0.578599D+01  0.751823D+01 -0.155102D+01  0.498766D+01  0.628159D+01
                91            92            93            94            95 
      1   0.450304D+01 -0.141807D+02 -0.113311D+02 -0.142967D+02 -0.458992D+00
      2   0.289801D+01  0.183201D+02  0.557779D+01  0.206064D+02 -0.142255D+02
      3  -0.740105D+01 -0.413936D+01  0.575335D+01 -0.630967D+01  0.146845D+02
      4  -0.109089D+02 -0.854962D+01  0.658522D+01 -0.136826D+02  0.306171D+02
      5  -0.973845D+01 -0.304801D+01 -0.106081D+02 -0.285841D+01 -0.182049D+02
      6   0.695082D+01 -0.302010D+01  0.277266D+01 -0.863260D+01  0.195522D+02
                96            97            98            99           100 
      1  -0.860943D+01 -0.868111D+01 -0.804724D+01 -0.593470D+01 -0.277194D+02
      2   0.174229D+02  0.364704D+01  0.151012D+02  0.253052D+01  0.118459D+02
      3  -0.881350D+01  0.503407D+01 -0.705395D+01  0.340418D+01  0.158736D+02
      4  -0.161271D+02  0.573081D+01 -0.126040D+02  0.156668D+01  0.289570D+02
      5  -0.249621D+01 -0.866571D+01 -0.142345D+01  0.250544D+01  0.231505D+02
      6  -0.404104D+01  0.303653D+01 -0.503046D+01 -0.437739D+01 -0.143903D+02
               101           102           103           104           105 
      1   0.193829D+02  0.205726D+02  0.152807D+02  0.107360D+02  0.660717D+01
      2  -0.161803D+02 -0.110735D+02 -0.143546D+02 -0.220029D+01 -0.110943D+02
      3  -0.320258D+01 -0.949905D+01 -0.926115D+00 -0.853567D+01  0.448709D+01
      4  -0.333826D+01 -0.132448D+02  0.139747D+01 -0.120036D+02  0.679166D+01
      5  -0.630122D+01 -0.422428D+01 -0.347059D+00  0.710099D+01  0.348797D+01
      6  -0.478775D+01 -0.167116D+01 -0.435293D+01 -0.971707D+01 -0.104812D+02
               106           107           108           109           110 
      1   0.175357D+02  0.430844D+01  0.185158D+01  0.702231D+00 -0.955648D+01
      2  -0.994206D+01 -0.838742D+01 -0.530540D+01 -0.132707D+01  0.783732D+01
      3  -0.759364D+01  0.407898D+01  0.345382D+01  0.624840D+00  0.171916D+01
      4  -0.997576D+01  0.593084D+01  0.270881D+01 -0.201197D+02 -0.659127D+00
      5  -0.542096D+01  0.351179D+01 -0.455019D+01 -0.862849D+01  0.694985D+01
      6  -0.856485D+00 -0.848703D+01  0.191906D+01  0.569141D+01  0.325778D+01
               111           112           113           114           115 
      1  -0.289649D+01 -0.116665D+02 -0.778797D+01  0.172110D+01 -0.198670D+01
      2   0.371435D+01  0.781781D+01  0.125175D+01  0.689864D+00  0.179276D+01
      3  -0.817853D+00  0.384868D+01  0.653622D+01 -0.241097D+01  0.193946D+00
      4   0.839917D+01  0.479586D+01 -0.101240D+01 -0.815371D+01  0.496685D+01
      5   0.813480D+01  0.685843D+01 -0.359511D+01 -0.185006D+01  0.523001D+01
      6  -0.200600D+01  0.153692D+01  0.138895D+01  0.478525D+01 -0.885080D+00
               116           117           118           119           120 
      1   0.147963D+01  0.639063D+01  0.786830D+02 -0.162622D+01 -0.198258D+02
      2  -0.219424D+01  0.793936D+01 -0.451878D+02  0.195165D+01  0.136390D+02
      3   0.714608D+00 -0.143300D+02 -0.334953D+02 -0.325428D+00  0.618675D+01
      4  -0.402850D+01 -0.362030D+01  0.863523D+01  0.810995D+01 -0.183269D+01
      5  -0.151517D+01  0.666829D+01 -0.313775D+02  0.764917D+00  0.182408D+02
      6   0.509699D+01 -0.270148D+01 -0.314385D+01 -0.167022D+01  0.276878D+01
               121           122           123           124           125 
      1  -0.136461D+02  0.724196D+01  0.511758D+01 -0.166476D+02  0.148428D+01
      2   0.949550D+01 -0.388008D+01 -0.477295D+01  0.135181D+02 -0.200973D+01
      3   0.415057D+01 -0.336188D+01 -0.344625D+00  0.312948D+01  0.525452D+00
      4   0.961855D+01 -0.892267D+00 -0.459242D+01 -0.196476D+01 -0.351001D+01
      5   0.637362D+01 -0.591323D+01 -0.295118D+01  0.217763D+02  0.842164D-02
      6  -0.245787D+01 -0.973683D+00  0.284447D+01  0.284794D+01  0.281892D+01
               126           127           128           129           130 
      1   0.128831D+02  0.271328D+00  0.574046D+01 -0.727783D+01  0.443630D+01
      2  -0.107458D+02  0.806756D+00 -0.401297D+01  0.367295D+01 -0.138997D+01
      3  -0.213727D+01 -0.107808D+01 -0.172749D+01  0.360488D+01 -0.304632D+01
      4   0.192260D+01  0.191157D+01  0.952521D-01 -0.115563D+01  0.696826D+01
      5  -0.132139D+02 -0.454491D+01 -0.770510D+00  0.625723D+00 -0.304170D+01
      6  -0.152361D+01 -0.355049D+01  0.282437D+01 -0.198852D+01 -0.189963D+01
               131           132           133           134           135 
      1  -0.136930D+02  0.789936D+01 -0.601034D+01  0.559405D+01 -0.704758D+01
      2   0.186255D+02 -0.647806D+01  0.328311D+01 -0.336378D+01  0.214145D+01
      3  -0.493248D+01 -0.142130D+01  0.272723D+01 -0.223027D+01  0.490612D+01
      4   0.228880D+02 -0.104694D+02 -0.420819D+01 -0.878707D+01  0.820084D+01
      5  -0.105137D+02  0.117888D+02  0.475096D+01  0.876684D+01 -0.106343D+02
      6  -0.171601D+02  0.128224D+02  0.136277D+01  0.114437D+02 -0.112525D+02
               136           137           138           139           140 
      1   0.330056D+02  0.159617D+02  0.934175D+01  0.186307D+02  0.109041D+02
      2  -0.121507D+02 -0.296531D+01 -0.449003D+01 -0.147142D+01  0.550014D+01
      3  -0.208549D+02 -0.129964D+02 -0.485171D+01 -0.171593D+02 -0.164043D+02
      4   0.304998D+02  0.227827D+02  0.910329D+01  0.321717D+02  0.334660D+02
      5   0.177334D+02  0.910651D+01  0.125847D+02  0.126621D+02  0.147963D+02
      6   0.804349D+01  0.575494D+01  0.469624D+01  0.962410D+01  0.116780D+02
               141           142           143           144           145 
      1   0.315882D+01  0.790981D+01  0.197935D+01  0.596309D+01  0.145519D+02
      2   0.865390D+00 -0.503275D+01 -0.500541D+00 -0.384046D+01 -0.973091D+01
      3  -0.402421D+01 -0.287706D+01 -0.147881D+01 -0.212263D+01 -0.482102D+01
      4   0.142965D+02  0.958294D+01  0.105092D+02  0.107975D+02 -0.575907D+01
      5   0.102845D+02  0.160619D+02  0.100996D+02  0.111905D+02  0.118504D+02
      6   0.864599D+01  0.729990D+01  0.837401D+01  0.672975D+01 -0.121874D+01
               146           147           148           149           150 
      1  -0.683621D+01  0.808538D+01 -0.136369D+02  0.841945D+01 -0.350780D+01
      2   0.501883D+01 -0.605206D+01  0.105313D+02 -0.711563D+01  0.678750D+01
      3   0.181737D+01 -0.203332D+01  0.310566D+01 -0.130381D+01 -0.327970D+01
      4   0.765961D+01 -0.192607D+01  0.112914D+02 -0.165098D+02  0.107190D+02
      5  -0.430528D+01  0.982294D+01 -0.917080D+01  0.128362D+02 -0.142035D+02
      6   0.200796D+01 -0.302280D+00  0.430315D+01 -0.600090D+01  0.357195D+01
               151           152           153           154           155 
      1   0.901151D+01 -0.835009D+00  0.426679D+01  0.559203D+01 -0.468959D+01
      2  -0.821131D+01  0.429100D+01 -0.916406D+01  0.372714D+01 -0.532154D+01
      3  -0.800195D+00 -0.345599D+01  0.489727D+01 -0.931916D+01  0.100111D+02
      4  -0.125748D+01  0.742714D+01 -0.653582D+01 -0.168406D+02  0.191509D+02
      5   0.121092D+02 -0.822496D+01  0.153431D+02  0.762735D+01 -0.571295D+01
      6  -0.809884D+00  0.412912D+01 -0.242776D+01 -0.650750D+01  0.494771D+01
               156           157           158           159           160 
      1   0.341018D+01 -0.956294D+00 -0.142054D+02  0.624077D+01  0.151361D+01
      2  -0.385384D+00 -0.132298D+02  0.416638D+02 -0.117354D+02  0.706492D+00
      3  -0.302480D+01  0.141861D+02 -0.274584D+02  0.549459D+01 -0.222011D+01
      4  -0.643750D+01  0.261665D+02 -0.454889D+02  0.142775D+02 -0.758750D+01
      5   0.685862D+01 -0.737545D+01  0.146343D+02 -0.946177D+01  0.890957D+01
      6  -0.411059D+01  0.958366D+01 -0.237811D+02  0.144067D+02 -0.763460D+01
               161           162           163           164           165 
      1   0.544052D+01 -0.310322D+01  0.257320D+02  0.709324D+01  0.105051D+02
      2  -0.793956D+01  0.527400D+01 -0.196132D+02 -0.715763D+01 -0.974545D+01
      3   0.249903D+01 -0.217077D+01 -0.611880D+01  0.643922D-01 -0.759611D+00
      4   0.121983D+02 -0.112693D+02 -0.292764D+01  0.476145D+01 -0.208168D+01
      5  -0.104676D+02  0.790205D+01  0.172309D+02  0.329304D+01  0.139283D+02
      6   0.157463D+02 -0.106406D+02 -0.267376D+01  0.156909D+01 -0.401512D+01
               166           167           168           169           170 
      1   0.145176D+02  0.739473D+01  0.577340D+01  0.884462D+01  0.190353D+01
      2  -0.134353D+02 -0.744423D+01 -0.968812D+01 -0.933626D+01 -0.542233D+01
      3  -0.108230D+01  0.495049D-01  0.391472D+01  0.491633D+00  0.351879D+01
      4   0.326276D+01  0.445535D+01  0.517393D+01 -0.364052D+01  0.517004D+01
      5   0.849169D+01  0.859239D+01  0.957885D+01  0.140701D+02  0.400841D+01
      6   0.192903D+01 -0.185076D+00 -0.507649D+00 -0.335124D+01  0.202478D+01
               171           172           173           174           175 
      1   0.681433D+01  0.562375D+02 -0.137677D+02 -0.152609D+02 -0.351856D+01
      2  -0.118041D+02 -0.255993D+02  0.221240D+01  0.935934D+01 -0.359146D+01
      3   0.498981D+01 -0.306382D+02  0.115553D+02  0.590153D+01  0.711002D+01
      4  -0.108049D+00 -0.422471D+02  0.205192D+02  0.123247D+02  0.149241D+02
      5   0.151894D+02 -0.275000D+02  0.795959D+01  0.160482D+02  0.279552D+01
      6  -0.372105D+01  0.128575D+02 -0.531995D+01 -0.823773D+01 -0.415238D+01
               176           177           178           179           180 
      1   0.511230D+01 -0.880701D+00 -0.112320D+02  0.124313D+01  0.814615D+01
      2   0.138100D+01  0.311587D+01  0.841332D+01  0.662857D+00 -0.595708D+01
      3  -0.649329D+01 -0.223517D+01  0.281872D+01 -0.190599D+01 -0.218908D+01
      4  -0.113773D+02 -0.513225D+01  0.110059D+02 -0.613444D+01 -0.984093D+01
      5  -0.579941D+01 -0.274354D+01  0.180683D+02 -0.643874D+01 -0.117030D+02
      6   0.538257D+01  0.517460D+01 -0.933884D+01  0.670163D+01  0.651812D+01
               181           182           183           184           185 
      1  -0.561119D+01 -0.121380D+02 -0.955580D+01 -0.659566D+01 -0.207175D+02
      2   0.543324D+01  0.125308D+02  0.555803D+01  0.573875D+01  0.267522D+02
      3   0.177958D+00 -0.392844D+00  0.399777D+01  0.856908D+00 -0.603467D+01
      4   0.223739D+01  0.720708D+00  0.359863D+01  0.405136D+01 -0.799948D+01
      5  -0.149350D+01  0.116997D+01 -0.939558D+00  0.147520D+01 -0.455205D+01
      6   0.703491D+01  0.746186D+01  0.760624D+01  0.229824D+01  0.180428D+02
               186           187           188           189           190 
      1  -0.102495D+02 -0.548143D+01 -0.889585D+01 -0.113906D+02 -0.942651D+00
      2   0.104567D+02  0.208257D+01  0.796210D+01  0.648674D+01  0.133613D+02
      3  -0.207170D+00  0.339885D+01  0.933753D+00  0.490388D+01 -0.124187D+02
      4  -0.412448D+01  0.474970D+01 -0.530251D+01 -0.259572D+01  0.249758D+02
      5  -0.600843D+01  0.219825D+01 -0.496916D+01 -0.566701D+01  0.786788D+01
      6   0.144465D+02  0.237088D+01  0.140163D+02  0.145609D+02  0.129666D+02
               191           192           193           194           195 
      1  -0.704674D+01 -0.183994D+01 -0.598617D+01 -0.210169D+02 -0.693655D+01
      2   0.230113D+02  0.506394D+01  0.176682D+02  0.452160D+02  0.122049D+02
      3  -0.159646D+02 -0.322399D+01 -0.116820D+02 -0.241991D+02 -0.526839D+01
      4   0.283305D+02  0.122605D+02  0.194397D+02  0.293762D+02  0.853329D+01
      5   0.804218D+01  0.670603D+01  0.472085D+01  0.720792D+01  0.387699D+01
      6   0.128129D+02  0.938127D+01  0.883551D+01  0.214599D+02  0.144843D+02
               196           197           198           199           200 
      1  -0.217180D+01 -0.780611D+01 -0.647868D+01 -0.397520D+01  0.762718D+01
      2   0.319710D+01  0.109130D+02  0.852970D+01  0.595167D+01 -0.111475D+02
      3  -0.102530D+01 -0.310686D+01 -0.205102D+01 -0.197647D+01  0.352037D+01
      4   0.861327D+01  0.867108D+01  0.898708D+01 -0.204879D+02  0.122974D+02
      5   0.619763D+01  0.591267D+01  0.515422D+01 -0.847732D+01  0.463940D+01
      6   0.863582D+01  0.181433D+02  0.119146D+02  0.133036D+02 -0.813218D+01
               201           202           203           204           205 
      1   0.442152D+01  0.327078D+01 -0.641521D+01 -0.483800D+01  0.326208D+01
      2  -0.144595D+01 -0.543383D+01  0.103931D+02  0.736284D+01  0.599401D-01
      3  -0.297557D+01  0.216305D+01 -0.397790D+01 -0.252484D+01 -0.332202D+01
      4   0.117991D+02  0.738542D+01 -0.578873D+01 -0.212562D+01  0.815936D+01
      5   0.546416D+01  0.175792D+01 -0.175678D+01 -0.848044D+00  0.541268D+01
      6  -0.145484D+02 -0.369303D+01  0.100528D+02  0.783141D+01 -0.910749D+01
               206           207           208           209           210 
      1  -0.726850D+01 -0.722689D+01 -0.502409D+01  0.116399D+02 -0.504560D+01
      2   0.856248D+01  0.230217D+01  0.942578D+01 -0.193940D+02  0.612723D+01
      3  -0.129398D+01  0.492471D+01 -0.440170D+01  0.775405D+01 -0.108163D+01
      4  -0.238950D+01 -0.805155D+01 -0.507039D+01  0.126040D+02 -0.592242D+01
      5  -0.171903D+01 -0.440217D+01  0.501946D+00 -0.333779D+01  0.311117D+01
      6   0.107857D+02  0.148279D+02 -0.720603D+01  0.892083D+01 -0.481333D+01
               211           212           213           214           215 
      1   0.512110D+01 -0.439105D+02  0.130592D+02 -0.275489D+01  0.132683D+02
      2  -0.860603D+01  0.764820D+02 -0.191959D+02  0.263150D+01 -0.164644D+02
      3   0.348493D+01 -0.325715D+02  0.613665D+01  0.123388D+00  0.319612D+01
      4   0.864922D+01 -0.484630D+01  0.181401D+01 -0.399514D+01  0.143712D+01
      5  -0.183196D+01  0.270016D+00  0.766530D+00  0.275638D+01  0.381200D+00
      6   0.378123D+01 -0.303802D+02  0.179974D+02 -0.238198D+01  0.218406D+02
               216           217           218           219           220 
      1  -0.108161D+02  0.126509D+02 -0.136861D+01 -0.380981D+01 -0.219727D+01
      2   0.129887D+02 -0.834758D+01  0.476262D+01  0.565920D+01  0.436855D+01
      3  -0.217261D+01 -0.430333D+01 -0.339400D+01 -0.184939D+01 -0.217128D+01
      4  -0.110887D+01  0.249180D+02  0.906682D+01 -0.116607D+02  0.195183D+01
      5   0.185299D+00 -0.153302D+02 -0.317184D+01  0.111423D+02  0.118467D+01
      6  -0.132397D+02 -0.118022D+02 -0.420417D+01  0.130225D+02 -0.134054D+01
               221           222           223           224           225 
      1  -0.634838D+00  0.339156D+01 -0.144158D+01  0.418303D+01 -0.223284D+00
      2   0.244324D+01 -0.688388D+01  0.401249D+01 -0.663608D+01 -0.465232D+01
      3  -0.180841D+01  0.349232D+01 -0.257091D+01  0.245305D+01  0.487560D+01
      4   0.308782D+01 -0.131076D+01 -0.906692D+01 -0.410727D+01  0.906122D+01
      5  -0.299855D+01 -0.570045D+00  0.993442D+01  0.204864D+01 -0.973226D+01
      6  -0.587828D+01  0.218078D+01  0.940586D+01  0.628807D+01 -0.120730D+02
               226           227           228           229           230 
      1   0.120306D+02  0.176172D+01 -0.144896D+01 -0.252657D+01  0.210404D+01
      2  -0.398296D+01 -0.697874D+01  0.279773D+00 -0.113714D+01  0.265555D+01
      3  -0.804765D+01  0.521702D+01  0.116919D+01  0.366371D+01 -0.475959D+01
      4  -0.224521D+02  0.959029D+01 -0.370841D+01  0.882504D+01 -0.667092D+01
      5   0.105476D+02 -0.425505D+01  0.422994D+01 -0.242970D+01  0.874716D+00
      6  -0.362716D+01  0.610505D+01 -0.520420D+01  0.122559D+01  0.352078D+00
               231           232           233           234           235 
      1  -0.141106D+01 -0.777367D+00 -0.375536D+01  0.141383D+01 -0.523021D+00
      2   0.149129D+01 -0.173377D+01  0.619550D+01 -0.334470D+01 -0.213665D+01
      3  -0.802304D-01  0.251114D+01 -0.244014D+01  0.193088D+01  0.265967D+01
      4   0.113889D+01  0.188072D+01 -0.266561D+00 -0.303008D+01 -0.113270D+01
      5  -0.123140D+01  0.211431D+01 -0.439939D+00  0.176302D+01  0.156824D+01
      6   0.880176D+00 -0.249116D+01 -0.997257D+00 -0.283355D+00 -0.237384D+01
               236           237           238           239           240 
      1  -0.296906D+01  0.191018D+01 -0.170251D+01  0.154785D+01 -0.181908D+01
      2   0.306684D+01 -0.765845D+00  0.110771D+01 -0.416887D+01 -0.272424D+01
      3  -0.977835D-01 -0.114433D+01  0.594799D+00  0.262101D+01  0.454333D+01
      4   0.239787D+01 -0.293835D+01  0.351557D+00  0.432890D-01  0.282481D-01
      5  -0.908076D+00  0.483158D+01 -0.257914D+00 -0.126377D+01  0.116696D+01
      6  -0.129410D+01  0.109748D+01 -0.992652D+00  0.108053D+01  0.796252D+00
               241           242           243           244           245 
      1  -0.808089D+00  0.568378D+01 -0.161641D+02  0.281198D+02 -0.245811D+01
      2  -0.300350D+01 -0.372882D+01 -0.184401D+02 -0.174319D+02  0.525184D+01
      3   0.381159D+01 -0.195496D+01  0.346042D+02 -0.106879D+02 -0.279373D+01
      4  -0.373049D+01  0.372396D+00 -0.319545D+01  0.150116D+02  0.561447D+01
      5   0.439024D+01 -0.827117D+00  0.546718D+01  0.127610D+02  0.125268D+01
      6  -0.311538D+01  0.712666D+01 -0.220472D+02  0.812732D+00  0.334694D+01
               246           247           248           249           250 
      1   0.204473D+01 -0.485683D+00  0.439528D+01  0.109649D+01 -0.136202D+01
      2  -0.315074D+01  0.155992D+01 -0.233186D+01 -0.721261D+00 -0.186070D+01
      3   0.110601D+01 -0.107424D+01 -0.206342D+01 -0.375225D+00  0.322272D+01
      4   0.289829D+01  0.142402D+01  0.179294D+00 -0.146399D+01 -0.298061D+01
      5   0.600070D+01 -0.234095D+01 -0.986174D+00 -0.916602D+00  0.256691D+01
      6   0.307415D+01 -0.396905D+00 -0.214452D+01 -0.930170D+00  0.946994D+00
               251           252           253           254           255 
      1   0.285901D+01  0.280818D+01  0.206736D+01  0.323903D+01  0.401934D+01
      2  -0.411066D+01 -0.478047D+01 -0.450865D+01 -0.344338D+01 -0.127671D+01
      3   0.125165D+01  0.197229D+01  0.244129D+01  0.204344D+00 -0.274262D+01
      4  -0.289299D+01  0.391915D+00 -0.506131D+00 -0.109995D+01  0.115409D+01
      5  -0.110670D+01  0.165462D+01  0.185978D+01 -0.108235D+01  0.342751D+01
      6  -0.168073D+01 -0.433817D+00  0.357922D+00 -0.190930D+01 -0.215090D+01
               256           257           258           259           260 
      1   0.991502D+00 -0.129377D+01  0.505005D+00 -0.194600D+00 -0.430920D+01
      2  -0.464007D+00 -0.151743D+01  0.333066D+01 -0.412190D+01  0.401117D+01
      3  -0.527495D+00  0.281120D+01 -0.383567D+01  0.431650D+01  0.298025D+00
      4  -0.136691D+01 -0.127617D+01 -0.943704D-01  0.310875D+01  0.263580D+01
      5  -0.154183D+01 -0.107764D+01 -0.227222D+01  0.622041D+01  0.122567D+01
      6  -0.137962D+01  0.704565D+00  0.218559D+01  0.355039D+01  0.533176D+01
               261           262           263           264           265 
      1  -0.142087D+02  0.206089D+02  0.839702D+01 -0.171258D+01  0.123994D+02
      2  -0.204167D+02 -0.112468D+02 -0.555261D+01  0.238654D+01 -0.791288D+01
      3   0.346254D+02 -0.936209D+01 -0.284441D+01 -0.673956D+00 -0.448651D+01
      4   0.148488D+01  0.946824D+01  0.999990D+01 -0.215958D+01  0.619100D+01
      5   0.135604D+02 -0.636977D+01 -0.345743D+01  0.449866D+01 -0.847482D+01
      6   0.182561D+02 -0.344927D+01 -0.370079D+01  0.107475D+01 -0.291535D+01
               266           267           268           269           270 
      1   0.730980D+01 -0.251982D+01  0.492126D+01  0.702327D+00  0.471750D+00
      2  -0.394229D+01  0.343723D+01 -0.157337D+01  0.216941D+00 -0.239384D+01
      3  -0.336751D+01 -0.917413D+00 -0.334789D+01 -0.919268D+00  0.192209D+01
      4   0.117681D+02 -0.860565D-01 -0.331653D+01  0.254134D+01  0.353964D+01
      5  -0.222120D+01  0.497640D+01  0.109768D+01  0.308862D+01 -0.114049D+01
      6  -0.475511D+01  0.608947D+00  0.104831D+01  0.546468D-01 -0.138267D+01
               271           272           273           274           275 
      1  -0.204409D+01  0.703348D+00 -0.339238D+01  0.129177D+01 -0.146231D+01
      2  -0.369370D+00 -0.215339D+00 -0.106788D+01 -0.148204D+01 -0.147784D+01
      3   0.241346D+01 -0.488009D+00  0.446025D+01  0.190262D+00  0.294015D+01
      4   0.445594D+01 -0.469859D+00 -0.977553D+00  0.197650D+01 -0.654173D+00
      5   0.105406D+01 -0.152507D+01  0.844042D+00 -0.154697D+01 -0.236380D+01
      6  -0.565021D+00 -0.473982D+00  0.111598D+01 -0.120905D+01  0.966418D+00
               276           277           278           279           280 
      1  -0.819509D+00 -0.182630D+01  0.197359D+00 -0.150563D+02 -0.439125D+01
      2   0.214894D+01  0.540307D+01  0.216606D+01 -0.194837D+02  0.697287D+01
      3  -0.132943D+01 -0.357676D+01 -0.236342D+01  0.345400D+02 -0.258162D+01
      4  -0.251681D+01  0.194861D+01 -0.437326D+01  0.262926D+01  0.861748D+01
      5   0.121864D+01  0.810078D+01  0.983423D+00 -0.217762D+02 -0.389555D+01
      6   0.481323D+01 -0.132708D+01  0.334851D+01  0.624741D+01 -0.116541D+01
               281           282           283           284           285 
      1  -0.801348D+01  0.299540D+01 -0.666800D+01 -0.152798D+02  0.327174D+01
      2   0.115317D+02 -0.212904D+01  0.860426D+01  0.255031D+02 -0.247525D+01
      3  -0.351824D+01 -0.866363D+00 -0.193626D+01 -0.102232D+02 -0.796486D+00
      4   0.363456D+01  0.903091D+00  0.832072D+01  0.642728D+01 -0.138871D+01
      5  -0.188668D+01 -0.155184D+00 -0.338657D+01 -0.321689D+01  0.446431D+00
      6  -0.810672D+01  0.446258D+01 -0.307932D+01 -0.834990D+01  0.523748D+01
               286           287           288           289           290 
      1  -0.343700D+00 -0.751192D+00 -0.325646D+01 -0.101817D+01 -0.190311D+01
      2   0.815201D+00  0.422146D+01  0.131328D+01 -0.192882D+01  0.164743D+01
      3  -0.471501D+00 -0.347027D+01  0.194318D+01  0.294699D+01  0.255677D+00
      4   0.287065D+01 -0.378277D+01  0.311358D+01 -0.713158D+00  0.871627D+00
      5  -0.482240D+00  0.884311D+00 -0.124483D+01  0.140192D+01 -0.735805D+00
      6   0.294102D+01  0.151877D+01 -0.128762D+01 -0.174163D+01 -0.204549D+01
               291           292           293           294           295 
      1   0.285853D+01  0.283887D-02 -0.180151D+01 -0.489327D+00  0.259228D+01
      2  -0.887114D+00  0.423467D+00 -0.593962D+00 -0.374528D+01 -0.688488D+00
      3  -0.197142D+01 -0.426306D+00  0.239547D+01  0.423460D+01 -0.190379D+01
      4  -0.195496D+01 -0.124709D+01  0.455032D+01 -0.907027D+00 -0.432626D+01
      5   0.440426D+01 -0.105899D-01 -0.830138D+00  0.160347D+01  0.347788D+01
      6   0.171683D+01 -0.193169D+01  0.477309D+00  0.121692D+01  0.369831D+00
               296           297           298           299           300 
      1   0.518660D+01 -0.200874D+02 -0.305239D+01  0.332079D+01  0.163854D+00
      2  -0.131283D+01 -0.144342D+02  0.485690D+01 -0.342868D+01  0.353370D+00
      3  -0.387377D+01  0.345215D+02 -0.180451D+01  0.107888D+00 -0.517224D+00
      4   0.229835D+01  0.197153D+01 -0.165493D+01  0.291533D+00 -0.196618D+01
      5  -0.194650D+01  0.898833D+01 -0.242159D+01 -0.308392D+00 -0.110482D+01
      6   0.800929D+01 -0.208204D+02 -0.103050D+01 -0.415702D+01 -0.183857D+01
               301           302           303           304           305 
      1   0.582557D+01 -0.196070D+02 -0.382696D+01 -0.311733D+01 -0.153808D+01
      2  -0.425766D+01  0.306741D+02  0.279820D+01  0.227609D+01 -0.181273D+01
      3  -0.156791D+01 -0.110670D+02  0.102876D+01  0.841234D+00  0.335081D+01
      4   0.517422D+01  0.957676D+01  0.195490D+01 -0.324955D+01 -0.337014D+01
      5   0.300015D+01 -0.444539D+00  0.217045D+01 -0.154627D+01  0.422701D+00
      6  -0.415846D-01  0.124988D+02  0.618812D+01 -0.160332D+01  0.252266D+01
               306           307           308           309           310 
      1  -0.472333D+01 -0.870849D+00  0.368129D+00  0.354452D+01 -0.259374D+01
      2   0.278609D+01 -0.202599D+01  0.868889D-01 -0.546998D-01  0.233505D+01
      3   0.193724D+01  0.289684D+01 -0.455018D+00 -0.348982D+01  0.258689D+00
      4  -0.551219D+00 -0.812773D+00 -0.144731D+01  0.250942D+00 -0.186485D+01
      5  -0.670865D+00  0.124946D+01 -0.990571D+00  0.277140D+01 -0.160326D+01
      6   0.162348D+01 -0.512499D+00 -0.201906D+01 -0.234966D+01 -0.164140D+01
               311           312           313           314           315 
      1  -0.462601D+01 -0.103168D+01  0.382112D+01 -0.438228D+01 -0.206774D+02
      2   0.219516D+01  0.425797D+01 -0.355400D+01  0.934304D-01 -0.139423D+02
      3   0.243085D+01 -0.322628D+01 -0.267120D+00  0.428885D+01  0.346197D+02
      4  -0.178489D+01  0.473878D+00  0.327158D+01  0.292330D+01  0.606670D+00
      5  -0.221761D+00 -0.225720D+01  0.473367D+01  0.332179D+01  0.163400D+02
      6   0.144189D+01  0.284732D+01  0.100693D+01  0.678778D+01  0.157636D+02
               316           317           318           319           320 
      1   0.612855D+01 -0.286568D+01  0.916123D+00 -0.870168D+01  0.537596D+00
      2  -0.167493D+00 -0.106817D+01 -0.695710D+00  0.324921D+01  0.626489D+01
      3  -0.596106D+01  0.393385D+01 -0.220413D+00  0.545247D+01 -0.680249D+01
      4  -0.890902D+01  0.106099D+02  0.191991D+01  0.100248D+02 -0.212244D+02
      5  -0.105730D+01  0.207110D+01  0.180872D+01  0.707321D+01 -0.378358D+01
      6   0.179517D+01 -0.333902D+01 -0.157321D+01 -0.447754D+01  0.904483D+01
               321           322           323           324           325 
      1   0.133112D+01  0.628877D+01 -0.136666D+01 -0.246992D+01 -0.444983D+01
      2  -0.247831D+01 -0.352545D+01 -0.774839D+00  0.522593D+00  0.188866D+01
      3   0.114719D+01 -0.276332D+01  0.214150D+01  0.194732D+01  0.256117D+01
      4  -0.311769D+01  0.825734D+00  0.178975D+01 -0.352533D+01 -0.121509D+01
      5  -0.550762D+01 -0.485777D+00 -0.285243D+01 -0.530166D+00  0.141387D+01
      6   0.333562D+01 -0.792849D+00  0.171284D+01  0.174388D+01 -0.898200D+00
               326           327           328           329           330 
      1   0.622504D+00 -0.268940D+01  0.197028D+01 -0.142812D+01 -0.310470D+00
      2  -0.121448D+01 -0.194339D+01 -0.187761D+01 -0.131697D+01  0.869965D+00
      3   0.591977D+00  0.463280D+01 -0.926783D-01  0.274509D+01 -0.559495D+00
      4   0.718937D+00  0.316291D+00  0.309960D+01 -0.810665D+00 -0.317254D+01
      5  -0.429232D+00  0.593372D+00 -0.631816D+00 -0.277432D+01  0.536759D+00
      6  -0.663838D+00  0.607318D+00 -0.134331D+01  0.101264D+01  0.505742D+01
               331           332           333 
      1  -0.337836D+01 -0.246118D+01 -0.175330D+02
      2   0.581162D+01 -0.106516D+01 -0.170279D+02
      3  -0.243326D+01  0.352634D+01  0.345609D+02
      4  -0.329534D+00 -0.394262D+01 -0.338873D+01
      5   0.760319D+01 -0.270003D+01 -0.225451D+02
      6  -0.412594D+00  0.392106D+01  0.256698D+01
 Leave Link  716 at Fri Jul  9 01:48:32 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.151983D+03 -0.424536D-01  0.246070D-02
      2  -0.424536D-01  0.152023D+03 -0.127827D-01
      3   0.246070D-02 -0.127827D-01  0.126312D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.286922D+00  0.824322D-01  0.985507D-01
      2   0.645755D-01 -0.285184D+00  0.834334D-01
      3  -0.884532D-01 -0.111640D+00 -0.444126D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.565828D+02  0.845552D+02  0.876244D-01
      2  -0.566557D+02 -0.845502D+02 -0.786422D-01
      3   0.728600D-01 -0.503871D-02 -0.898222D-02
      4   0.845167D+02 -0.565715D+02  0.384578D-02
      5  -0.516761D-01  0.468162D+01  0.133693D+00
      6  -0.463119D+01 -0.437159D-01 -0.105807D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.294384D+01 -0.961008D+00 -0.267032D+01 -0.112154D+01 -0.286278D+01
      2  -0.961008D+00 -0.475837D+01  0.116418D+01 -0.286278D+01  0.564589D+01
      3  -0.267032D+01  0.116418D+01  0.875871D+00  0.415431D+00 -0.328325D+01
                 6             7             8             9            10 
      1   0.415431D+00 -0.204583D+01  0.601033D+00  0.974960D+00 -0.158217D+01
      2  -0.328325D+01  0.601033D+00 -0.298507D+01  0.898877D+00  0.358183D+01
      3   0.630712D+00  0.974960D+00  0.898877D+00  0.766047D+00  0.331774D+01
                11            12            13            14            15 
      1   0.358183D+01  0.331774D+01  0.272883D+01  0.327003D+01  0.357536D+00
      2   0.491551D+01  0.107367D+01  0.327003D+01  0.626043D+00  0.264451D+01
      3   0.107367D+01 -0.591350D+00  0.357536D+00  0.264451D+01  0.925222D+00
                16            17            18            19            20 
      1   0.260733D+01  0.728663D+00 -0.590179D+00  0.651054D+00 -0.227923D+01
      2   0.728663D+00  0.245162D+01  0.113593D+01 -0.227923D+01 -0.288475D+01
      3  -0.590179D+00  0.113593D+01 -0.808248D+00 -0.197758D+01 -0.946467D+00
                21            22            23            24            25 
      1  -0.197758D+01 -0.366154D+01 -0.515767D+01 -0.205306D+01 -0.248947D+01
      2  -0.946467D+00 -0.515767D+01 -0.516975D+01 -0.443732D+01 -0.144581D+01
      3  -0.124363D+01 -0.205306D+01 -0.443732D+01 -0.213492D+01 -0.150774D+01
                26            27            28            29            30 
      1  -0.144581D+01 -0.150774D+01 -0.108798D+01 -0.154981D+01 -0.144069D-01
      2  -0.293267D+01 -0.179181D+01 -0.154981D+01  0.983879D+00 -0.178172D+01
      3  -0.179181D+01  0.148309D+01 -0.144069D-01 -0.178172D+01 -0.140934D-01
                31            32            33            34            35 
      1  -0.157777D+01  0.101469D+01  0.177492D+01  0.349686D-02 -0.552689D-02
      2   0.101469D+01  0.154036D+01 -0.215400D-01 -0.552689D-02 -0.779277D-02
      3   0.177492D+01 -0.215400D-01  0.134051D-02 -0.105875D-01 -0.459463D-02
                36            37            38            39            40 
      1  -0.105875D-01 -0.167162D+01  0.867943D+00  0.126657D+01  0.502682D+00
      2  -0.459463D-02  0.867943D+00  0.344474D+00  0.394304D+00  0.301160D+01
      3  -0.890612D-02  0.126657D+01  0.394304D+00  0.339456D+00 -0.743561D+00
                41            42            43            44            45 
      1   0.301160D+01 -0.743561D+00  0.150283D+01 -0.851032D+00  0.705786D+00
      2  -0.942101D+01  0.514187D+01 -0.851032D+00  0.387938D+01 -0.219909D+01
      3   0.514187D+01 -0.242011D+01  0.705786D+00 -0.219909D+01 -0.148139D+01
                46            47            48            49            50 
      1   0.349621D+01  0.483089D+01  0.403373D+01  0.272257D+01  0.328699D+01
      2   0.483089D+01  0.498004D+01  0.232927D+01  0.328699D+01  0.637278D+00
      3   0.403373D+01  0.232927D+01  0.196186D+01  0.120665D+01  0.239494D+01
                51            52            53            54            55 
      1   0.120665D+01  0.257715D+01  0.146275D+01  0.156815D+01  0.531437D+00
      2   0.239494D+01  0.146275D+01  0.287226D+01  0.173805D+01 -0.236909D+01
      3   0.150183D+01  0.156815D+01  0.173805D+01 -0.146218D+01 -0.246056D+01
                56            57            58            59            60 
      1  -0.236909D+01 -0.246056D+01 -0.383297D+01 -0.470924D+01 -0.973580D+00
      2  -0.362913D+01 -0.259211D+00 -0.470924D+01  0.660386D-01 -0.356206D+01
      3  -0.259211D+00 -0.993803D+00 -0.973580D+00 -0.356206D+01  0.496999D+00
                61            62            63            64            65 
      1  -0.221135D+01 -0.688501D+00 -0.121510D+01 -0.680754D+01  0.163885D+01
      2  -0.688501D+00 -0.281132D+01  0.419390D+00  0.163885D+01  0.209673D+01
      3  -0.121510D+01  0.419390D+00  0.791738D+00  0.345058D+01 -0.315645D+00
                66            67            68            69            70 
      1   0.345058D+01  0.362120D+01  0.217761D+01 -0.110569D+01  0.312797D+01
      2  -0.315645D+00  0.217761D+01 -0.236942D+01  0.253433D+01 -0.465908D+00
      3  -0.511283D+00 -0.110569D+01  0.253433D+01 -0.974942D+00 -0.762123D+00
                71            72            73            74            75 
      1  -0.465908D+00 -0.762123D+00  0.998632D+01 -0.145827D+01 -0.513342D+01
      2   0.192894D+01 -0.108315D+01 -0.145827D+01 -0.128275D+01  0.233868D+00
      3  -0.108315D+01 -0.764077D+00 -0.513342D+01  0.233868D+00  0.244968D+01
                76            77            78            79            80 
      1   0.116259D+01 -0.128161D+01 -0.871484D+00 -0.410214D+01  0.508858D+00
      2  -0.128161D+01  0.124329D+01 -0.130052D+01  0.508858D+00 -0.133183D+01
      3  -0.871484D+00 -0.130052D+01 -0.235001D-01  0.229160D+01 -0.405428D+00
                81            82            83            84            85 
      1   0.229160D+01 -0.217997D+00  0.147004D+01 -0.250536D+01  0.209533D+00
      2  -0.405428D+00  0.147004D+01 -0.622243D+01  0.236175D+01 -0.389365D+01
      3   0.146275D+01 -0.250536D+01  0.236175D+01 -0.122763D+01  0.124723D+01
                86            87            88            89            90 
      1  -0.389365D+01  0.124723D+01 -0.156004D+01  0.947240D+00 -0.800151D+00
      2   0.611485D+01 -0.386914D+01  0.947240D+00 -0.387946D+01  0.219268D+01
      3  -0.386914D+01  0.209862D+01 -0.800151D+00  0.219268D+01  0.145929D+01
                91            92            93            94            95 
      1  -0.143973D+01  0.164127D+01  0.220253D+01  0.590768D+00  0.439980D+01
      2   0.164127D+01  0.284108D+01  0.242049D+00  0.439980D+01 -0.521516D+01
      3   0.220253D+01  0.242049D+00  0.112175D+01 -0.457079D+00  0.381584D+01
                96            97            98            99           100 
      1  -0.457079D+00  0.185097D+01 -0.347509D+00  0.129775D+01  0.658067D+01
      2   0.381584D+01 -0.347509D+00  0.321689D+01 -0.102981D+00 -0.318998D+01
      3   0.442436D-01  0.129775D+01 -0.102981D+00 -0.734834D+00 -0.383138D+01
               101           102           103           104           105 
      1  -0.318998D+01 -0.383138D+01 -0.144562D+01 -0.258939D+01 -0.486764D+00
      2  -0.177432D+01  0.255269D+00 -0.258939D+01  0.792173D+00 -0.221143D+01
      3   0.255269D+00  0.103432D+00 -0.486764D+00 -0.221143D+01 -0.111671D+01
               106           107           108           109           110 
      1  -0.326970D+01  0.160193D+00  0.295366D+00 -0.789571D+01  0.308972D+01
      2   0.160193D+00 -0.180006D+01 -0.127934D+01  0.308972D+01  0.726158D+00
      3   0.295366D+00 -0.127934D+01  0.733338D+00  0.435769D+01 -0.103558D+01
               111           112           113           114           115 
      1   0.435769D+01  0.551853D+01 -0.233936D+00 -0.211276D+01  0.403026D+01
      2  -0.103558D+01 -0.233936D+00  0.479797D-01  0.205590D+01 -0.602895D+00
      3  -0.227155D+01 -0.211276D+01  0.205590D+01  0.921068D+00 -0.227598D+01
               116           117           118           119           120 
      1  -0.602895D+00 -0.227598D+01  0.108374D+02  0.495983D-01 -0.289261D+01
      2   0.135375D+01  0.494856D+00  0.495983D-01  0.100236D+01  0.597285D-01
      3   0.494856D+00 -0.145493D+01 -0.289261D+01  0.597285D-01  0.202331D+01
               121           122           123           124           125 
      1  -0.217240D+01  0.116328D+01  0.864311D+00 -0.293768D+01  0.671143D-01
      2   0.116328D+01  0.128228D+00 -0.783534D+00  0.671143D-01 -0.516302D+00
      3   0.864311D+00 -0.783534D+00 -0.261680D+00  0.246257D+01  0.165276D+00
               126           127           128           129           130 
      1   0.246257D+01 -0.541475D-01  0.680061D+00 -0.868199D+00  0.103210D+01
      2   0.165276D+00  0.680061D+00 -0.705560D+00  0.248439D+00  0.446541D+00
      3  -0.149241D+01 -0.868199D+00  0.248439D+00 -0.355442D+00 -0.128553D+00
               131           132           133           134           135 
      1   0.446541D+00 -0.128553D+00 -0.124274D+01 -0.363829D+00  0.375082D+00
      2   0.480587D+01 -0.223781D+01 -0.363829D+00 -0.184669D+01  0.176616D+01
      3  -0.223781D+01  0.230548D+01  0.375082D+00  0.176616D+01 -0.221403D+01
               136           137           138           139           140 
      1   0.573899D+01  0.297103D+01  0.171317D+01  0.450845D+01  0.399246D+01
      2   0.297103D+01  0.255121D+01  0.772300D+00  0.399246D+01  0.428607D+01
      3   0.171317D+01  0.772300D+00  0.145952D+01  0.152699D+01  0.201309D+01
               141           142           143           144           145 
      1   0.152699D+01  0.198509D+01  0.118444D+01  0.204247D+01  0.205415D+01
      2   0.201309D+01  0.118444D+01  0.145924D+01  0.135418D+01 -0.107139D+01
      3   0.143042D+01  0.204247D+01  0.135418D+01  0.146141D+01  0.132429D+01
               146           147           148           149           150 
      1  -0.107139D+01  0.132429D+01 -0.205941D+01  0.165290D+01 -0.864869D+00
      2   0.965142D+00 -0.461970D+00  0.165290D+01 -0.303168D+01  0.179249D+01
      3  -0.461970D+00  0.111268D+01 -0.864869D+00  0.179249D+01 -0.206206D+01
               151           152           153           154           155 
      1   0.181267D+01 -0.374488D+00  0.136936D+01 -0.226902D+01  0.182100D+01
      2  -0.374488D+00  0.129303D+01 -0.117142D+01  0.182100D+01 -0.199835D+01
      3   0.136936D+01 -0.117142D+01  0.222334D+01 -0.937815D+00  0.362385D+00
               156           157           158           159           160 
      1  -0.937815D+00  0.273069D+01 -0.387987D+01  0.108260D+01 -0.110232D+01
      2   0.362385D+00 -0.387987D+01  0.847054D+01 -0.274545D+01  0.107133D+01
      3  -0.831416D+00  0.108260D+01 -0.274545D+01  0.187421D+01 -0.139002D+01
               161           162           163           164           165 
      1   0.107133D+01 -0.139002D+01 -0.378096D+01 -0.896031D+00 -0.188215D+01
      2  -0.238216D+01  0.205879D+01 -0.896031D+00 -0.972992D+00 -0.394655D+00
      3   0.205879D+01 -0.148499D+01 -0.188215D+01 -0.394655D+00 -0.179462D+01
               166           167           168           169           170 
      1  -0.203367D+01 -0.126475D+01 -0.785422D+00 -0.200807D+01 -0.569529D-01
      2  -0.126475D+01 -0.145637D+01 -0.126820D+01 -0.569529D-01 -0.109679D+01
      3  -0.785422D+00 -0.126820D+01 -0.144238D+01 -0.169982D+01 -0.560464D+00
               171           172           173           174           175 
      1  -0.169982D+01 -0.972547D+01  0.325123D+01  0.292136D+01  0.116917D+01
      2  -0.560464D+00  0.325123D+01 -0.205258D+01 -0.834120D+00 -0.140146D+01
      3  -0.224541D+01  0.292136D+01 -0.834120D+00 -0.196177D+01 -0.840782D-01
               176           177           178           179           180 
      1  -0.140146D+01 -0.840782D-01  0.265183D+01 -0.874898D+00 -0.223571D+01
      2   0.151788D+01  0.797311D+00 -0.874898D+00  0.859233D+00  0.110725D+01
      3   0.797311D+00  0.563357D+00 -0.223571D+01  0.110725D+01  0.150105D+01
               181           182           183           184           185 
      1   0.110803D+01  0.103197D+01  0.113324D+01  0.914761D+00  0.666533D+00
      2   0.103197D+01  0.183876D+01  0.684560D+00  0.666533D+00  0.419156D+01
      3   0.113324D+01  0.684560D+00  0.118957D+01  0.306562D+00  0.201690D+01
               186           187           188           189           190 
      1   0.306562D+00  0.108973D+01 -0.644459D-01  0.319653D+00 -0.295822D+01
      2   0.201690D+01 -0.644459D-01  0.201219D+01  0.176977D+01 -0.343589D+01
      3   0.197861D+01  0.319653D+00  0.176977D+01  0.223757D+01 -0.168823D+01
               191           192           193           194           195 
      1  -0.343589D+01 -0.168823D+01 -0.221313D+01 -0.286822D+01 -0.748184D+00
      2  -0.462722D+01 -0.149338D+01 -0.286822D+01 -0.700018D+01 -0.200308D+01
      3  -0.149338D+01 -0.121786D+01 -0.748184D+00 -0.200308D+01 -0.164350D+01
               196           197           198           199           200 
      1  -0.114703D+01 -0.105746D+01 -0.105559D+01  0.352697D+01 -0.160257D+01
      2  -0.105746D+01 -0.231529D+01 -0.219409D+01 -0.160257D+01  0.185499D+01
      3  -0.105559D+01 -0.219409D+01 -0.145636D+01 -0.191747D+01  0.764330D+00
               201           202           203           204           205 
      1  -0.191747D+01 -0.805065D+00  0.949257D+00  0.369974D+00 -0.139063D+01
      2   0.764330D+00  0.949257D+00 -0.151522D+01 -0.118692D+01  0.428887D+00
      3   0.216135D+01  0.369974D+00 -0.118692D+01 -0.828084D+00  0.133910D+01
               206           207           208           209           210 
      1   0.428887D+00  0.133910D+01  0.367726D+00 -0.157068D+01  0.927100D+00
      2  -0.172580D+01 -0.119874D+01 -0.157068D+01  0.312699D+01 -0.109562D+01
      3  -0.119874D+01 -0.221901D+01  0.927100D+00 -0.109562D+01  0.506912D+00
               211           212           213           214           215 
      1  -0.111809D+01  0.102622D+01 -0.324641D+00  0.563147D+00 -0.370779D+00
      2   0.102622D+01 -0.103838D+02  0.275498D+01 -0.370779D+00  0.288456D+01
      3  -0.324641D+00  0.275498D+01 -0.197252D+01  0.144772D+00 -0.246683D+01
               216           217           218           219           220 
      1   0.144772D+00 -0.463882D+01 -0.841227D+00  0.217840D+01  0.246880D+00
      2  -0.246683D+01 -0.841227D+00 -0.117142D+01  0.315650D+00 -0.684544D+00
      3   0.148584D+01  0.217840D+01  0.315650D+00 -0.229746D+01 -0.665391D-01
               221           222           223           224           225 
      1  -0.684544D+00 -0.665391D-01  0.172096D+01  0.420743D+00 -0.169065D+01
      2  -0.344077D+00  0.906609D+00  0.420743D+00  0.137664D+01 -0.614941D+00
      3   0.906609D+00  0.477385D-01 -0.169065D+01 -0.614941D+00  0.221975D+01
               226           227           228           229           230 
      1   0.505362D+01 -0.159711D+01  0.731264D+00 -0.195077D+01  0.843299D+00
      2  -0.159711D+01  0.294109D+01 -0.109057D+01  0.843299D+00 -0.326706D+00
      3   0.731264D+00 -0.109057D+01  0.123763D+01 -0.125656D+00 -0.647306D+00
               231           232           233           234           235 
      1  -0.125656D+00  0.651330D-01  0.927582D-01  0.567470D+00  0.614450D+00
      2  -0.647306D+00  0.927582D-01 -0.190132D+01  0.504820D+00 -0.354653D+00
      3  -0.666064D-01  0.567470D+00  0.504820D+00  0.223252D+00  0.665791D+00
               236           237           238           239           240 
      1  -0.354653D+00  0.665791D+00 -0.465489D+00 -0.472027D+00  0.244306D+00
      2  -0.989501D+00  0.312979D+00 -0.472027D+00  0.150647D+01 -0.289370D+00
      3   0.312979D+00 -0.200192D+00  0.244306D+00 -0.289370D+00  0.737140D+00
               241           242           243           244           245 
      1   0.965435D+00 -0.334021D-01  0.896501D+00 -0.631225D+01 -0.362221D+00
      2  -0.334021D-01  0.180205D+01 -0.101480D+01 -0.362221D+00 -0.192676D+01
      3   0.896501D+00 -0.101480D+01  0.697081D+01 -0.955707D+00 -0.416157D+00
               246           247           248           249           250 
      1  -0.955707D+00  0.169821D+00  0.126970D+00  0.535276D+00  0.318293D+00
      2  -0.416157D+00  0.126970D+00  0.849081D+00  0.874814D+00  0.755267D+00
      3  -0.116631D+01  0.535276D+00  0.874814D+00  0.419500D+00 -0.305879D+00
               251           252           253           254           255 
      1   0.755267D+00 -0.305879D+00 -0.530873D+00  0.695116D+00 -0.319423D+00
      2   0.158266D+01  0.701693D+00  0.695116D+00  0.128319D+01  0.566577D+00
      3   0.701693D+00 -0.208560D+00 -0.319423D+00  0.566577D+00  0.458802D+00
               256           257           258           259           260 
      1   0.384509D+00  0.832519D+00  0.497827D+00 -0.111143D+01 -0.327985D+00
      2   0.832519D+00  0.428761D+00 -0.485628D-01 -0.327985D+00 -0.166376D+01
      3   0.497827D+00 -0.485628D-01  0.616311D+00 -0.123012D+01 -0.592502D+00
               261           262           263           264           265 
      1  -0.123012D+01 -0.366419D+01 -0.183235D+01  0.217036D+00 -0.345002D+01
      2  -0.592502D+00 -0.183235D+01 -0.226816D+01  0.421523D+00 -0.962519D+00
      3  -0.698142D+01  0.217036D+00  0.421523D+00 -0.674851D+00  0.135434D+01
               266           267           268           269           270 
      1  -0.962519D+00  0.135434D+01 -0.147190D+01  0.801532D+00  0.147717D+00
      2  -0.228630D+01 -0.130624D+00  0.801532D+00 -0.347589D+00 -0.738353D+00
      3  -0.130624D+00 -0.102219D+01  0.147717D+00 -0.738353D+00  0.224480D+00
               271           272           273           274           275 
      1   0.137805D+01 -0.979867D+00 -0.289344D+00 -0.461442D+00 -0.444634D+00
      2  -0.979867D+00 -0.269712D+00  0.302657D+00 -0.444634D+00  0.268148D+00
      3  -0.289344D+00  0.302657D+00  0.729228D+00  0.226262D+00  0.681307D+00
               276           277           278           279           280 
      1   0.226262D+00  0.160890D+01 -0.340350D+00 -0.131371D+01  0.189205D+01
      2   0.681307D+00 -0.340350D+00  0.114145D+01 -0.278724D+00  0.530562D+00
      3  -0.199596D+00 -0.131371D+01 -0.278724D+00  0.694952D+01  0.357208D+00
               281           282           283           284           285 
      1   0.530562D+00  0.357208D+00  0.208383D+01  0.164065D+01 -0.330077D+00
      2   0.312011D+01 -0.130211D+01  0.164065D+01  0.457612D+01 -0.449898D+00
      3  -0.130211D+01  0.949146D+00 -0.330077D+00 -0.449898D+00  0.810560D+00
               286           287           288           289           290 
      1   0.563845D+00 -0.940953D+00  0.765637D+00 -0.375236D+00  0.184604D+00
      2  -0.940953D+00  0.129839D+01 -0.737275D-01  0.184604D+00  0.698731D+00
      3   0.765637D+00 -0.737275D-01 -0.221050D+00 -0.594262D+00 -0.340477D+00
               291           292           293           294           295 
      1  -0.594262D+00 -0.536077D-01  0.119231D+01 -0.419695D+00 -0.124613D+01
      2  -0.340477D+00  0.119231D+01 -0.100298D+01  0.203074D+00  0.394918D+00
      3   0.307143D+00 -0.419695D+00  0.203074D+00 -0.694731D+00  0.109921D+00
               296           297           298           299           300 
      1   0.394918D+00  0.109921D+00 -0.105477D+01 -0.192445D+00 -0.849475D+00
      2  -0.151948D+01  0.134572D+01 -0.192445D+00 -0.102189D+01 -0.770173D+00
      3   0.134572D+01 -0.695179D+01 -0.849475D+00 -0.770173D+00 -0.562776D+00
               301           302           303           304           305 
      1   0.180953D+01 -0.220560D+00  0.198406D+00 -0.136427D+01 -0.888290D+00
      2  -0.220560D+00  0.626764D+01  0.925996D+00 -0.888290D+00 -0.520298D+00
      3   0.198406D+00  0.925996D+00  0.110562D+01 -0.718329D+00  0.220897D+00
               306           307           308           309           310 
      1  -0.718329D+00 -0.665593D-01 -0.678788D+00  0.205104D+00 -0.108992D+01
      2   0.220897D+00 -0.678788D+00 -0.632913D+00 -0.504830D+00 -0.998131D+00
      3   0.212736D+00  0.205104D+00 -0.504830D+00 -0.555350D+00 -0.581664D+00
               311           312           313           314           315 
      1  -0.998131D+00 -0.581664D+00  0.157700D+01  0.379302D+00  0.421667D+00
      2   0.241518D+00  0.185832D+00  0.379302D+00  0.120018D+01  0.128542D+01
      3   0.185832D+00 -0.536022D+00  0.421667D+00  0.128542D+01  0.697444D+01
               316           317           318           319           320 
      1   0.106195D+01 -0.124252D+01  0.443614D+00 -0.324589D+01  0.166012D+01
      2  -0.124252D+01  0.230279D+01  0.287917D+00  0.166012D+01 -0.431292D+01
      3   0.443614D+00  0.287917D+00  0.235511D+00  0.123408D+01 -0.538230D+00
               321           322           323           324           325 
      1   0.123408D+01  0.187895D+01  0.168280D+00 -0.416676D+00 -0.168966D+01
      2  -0.538230D+00  0.168280D+00 -0.582132D-01 -0.631319D+00  0.129407D+00
      3  -0.121429D+01 -0.416676D+00 -0.631319D+00 -0.229515D+00  0.341285D+00
               326           327           328           329           330 
      1   0.129407D+00  0.341285D+00  0.651878D+00  0.571226D+00 -0.179353D+00
      2   0.615573D+00 -0.110716D+00  0.571226D+00 -0.416212D+00 -0.725558D+00
      3  -0.110716D+00 -0.751464D+00 -0.179353D+00 -0.725558D+00  0.104850D+00
               331           332           333 
      1  -0.180025D+01 -0.722982D-01  0.112282D+01
      2  -0.722982D-01 -0.970542D+00 -0.757450D+00
      3   0.112282D+01 -0.757450D+00 -0.696133D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.106071D+02 -0.695099D+01  0.578548D+01 -0.539985D+01 -0.275552D+01
      2   0.137799D+00  0.289723D+01  0.294792D+01  0.165589D+01  0.254747D+01
      3  -0.967726D+01  0.326391D+01  0.858589D+01  0.619884D+01  0.936838D+01
                 6             7             8             9            10 
      1  -0.810761D+01  0.119717D+01 -0.281498D+01  0.208229D+01  0.421331D+01
      2   0.676393D+00  0.908341D-01  0.725810D-01 -0.134373D+01 -0.301881D+01
      3   0.980592D+00  0.962665D+01  0.254170D+01 -0.441041D+01  0.103248D+02
                11            12            13            14            15 
      1  -0.812359D+01 -0.689779D+01 -0.615286D+01  0.946288D+01 -0.563460D+01
      2   0.180547D+01  0.554258D+01  0.237440D+01  0.269700D+00  0.309323D+00
      3  -0.481874D+01 -0.756618D+01 -0.203827D+01 -0.989242D+01  0.451229D+01
                16            17            18            19            20 
      1  -0.218718D+01 -0.257476D+01 -0.256281D+01 -0.639566D+00 -0.230976D+01
      2   0.942538D+00  0.757802D+00 -0.432444D+00  0.223972D+02  0.162765D+02
      3  -0.786217D+01  0.647233D+01  0.457494D+01 -0.233222D+02 -0.192655D+02
                21            22            23            24            25 
      1   0.283490D+01 -0.652593D+01 -0.222192D+02 -0.189555D+01  0.129739D+02
      2   0.998834D+01  0.512285D+01 -0.240295D+01 -0.534922D+01 -0.124087D+02
      3  -0.971265D+01  0.522853D+01  0.230929D+02  0.775799D+01 -0.221505D+01
                26            27            28            29            30 
      1   0.206796D+02  0.200644D+02  0.226413D+01  0.348159D+01  0.674228D-01
      2  -0.167490D+02 -0.204181D+02  0.320787D+01 -0.199303D+01 -0.119874D+02
      3   0.520736D+01  0.172893D+01 -0.143525D+00  0.154794D+02 -0.253451D+00
                31            32            33            34            35 
      1   0.373699D+01 -0.254095D+01  0.121802D+02  0.874892D-01 -0.138024D+02
      2  -0.211929D+01 -0.354919D+01  0.735104D-01  0.139538D+02  0.109747D+00
      3  -0.152453D+02 -0.313683D+00 -0.134601D+00 -0.107611D+00  0.183746D+00
                36            37            38            39            40 
      1   0.553158D-01  0.492735D+01 -0.224601D+01  0.125743D+01 -0.185781D+01
      2  -0.210138D+00  0.100101D+02 -0.228461D+02  0.117644D+02 -0.109583D+02
      3  -0.119658D+00  0.114933D+02 -0.338356D+02  0.120134D+02 -0.937626D+01
                41            42            43            44            45 
      1   0.240136D+02 -0.130876D+00 -0.567558D+01  0.300989D+02 -0.262284D+02
      2  -0.720236D-01  0.114762D+01 -0.306519D+01  0.929800D+01 -0.110255D+02
      3  -0.110338D+02  0.324709D+01  0.405938D+01  0.365979D+01 -0.163368D+01
                46            47            48            49            50 
      1   0.198996D+01 -0.277829D+01  0.621661D+01 -0.134032D+02 -0.249396D+02
      2   0.211229D+02  0.867655D+01  0.296119D+01  0.315873D+01 -0.103746D+01
      3  -0.240888D+02 -0.111800D+02 -0.878413D+01  0.132247D+02  0.243885D+02
                51            52            53            54            55 
      1  -0.888856D+01  0.172202D+02  0.162921D+02  0.227260D+02  0.170191D+01
      2  -0.372985D+01 -0.168296D+02 -0.134959D+02 -0.171287D+02 -0.106595D+02
      3   0.870472D+01 -0.530368D+01  0.153925D+01 -0.172861D+01  0.863709D+01
                56            57            58            59            60 
      1  -0.345432D+01 -0.204253D+00 -0.312047D+01  0.277586D+01 -0.656262D+01
      2   0.488183D+01  0.463916D+01  0.670258D+01 -0.236004D+01  0.688669D+01
      3   0.460868D+01 -0.539592D+01  0.774469D+01 -0.904707D+01  0.719177D+01
                61            62            63            64            65 
      1  -0.871414D+00 -0.133600D+01  0.888072D-01 -0.201137D+01 -0.251107D+01
      2   0.187160D+01  0.222012D+01  0.253564D+01  0.947128D+00  0.393075D+01
      3  -0.719466D+01  0.713650D+01 -0.449486D+01 -0.791754D+01 -0.867960D+01
                66            67            68            69            70 
      1  -0.144417D+01 -0.389840D+01 -0.232469D+01 -0.236317D+01 -0.484415D+00
      2   0.872014D+01  0.525622D+01  0.121039D+02 -0.521946D+01  0.299616D+01
      3   0.746118D-01 -0.571379D+01  0.841844D+01 -0.889143D+01 -0.136213D+01
                71            72            73            74            75 
      1  -0.235934D-01  0.160636D+01 -0.113214D+01  0.116868D+02  0.241153D+00
      2  -0.794963D+00 -0.187427D+01 -0.243992D+02  0.853240D+00  0.229922D+00
      3  -0.100037D+02  0.441446D+01  0.534104D+01  0.115120D+02 -0.177021D+01
                76            77            78            79            80 
      1   0.232348D+02 -0.469110D+01 -0.114753D+02 -0.571543D+01  0.161878D+01
      2   0.281451D+01 -0.539630D+01 -0.280409D+01 -0.316811D+02  0.188329D+01
      3   0.356575D+02 -0.536300D+01 -0.121759D+02 -0.329688D+01 -0.449177D+01
                81            82            83            84            85 
      1   0.764334D+01  0.178891D+01  0.257894D+01 -0.676021D+01 -0.505287D+01
      2   0.274983D+02  0.141532D+02 -0.172944D+02  0.751975D+01 -0.805861D+01
      3   0.178104D+01  0.177365D+02 -0.288372D+02  0.115908D+02 -0.422334D+01
                86            87            88            89            90 
      1   0.272932D+02 -0.446406D+01 -0.129443D+02  0.274641D+02 -0.275912D+02
      2  -0.420416D+01  0.435183D+01 -0.586634D+01  0.925450D+01 -0.713534D+01
      3  -0.179753D+02  0.461870D+01  0.555831D+01 -0.610118D+00  0.165396D+01
                91            92            93            94            95 
      1  -0.915529D+01 -0.233356D+01 -0.145949D+01 -0.300972D+01 -0.199604D+00
      2  -0.111112D+02  0.134562D+01  0.237759D+01 -0.883852D+00  0.650134D+00
      3  -0.183338D+01  0.925003D+01  0.739208D+01  0.119079D+02  0.248436D+01
                96            97            98            99           100 
      1  -0.871250D+01  0.722708D+00 -0.244109D+01  0.832405D+00 -0.298825D+00
      2  -0.513792D+01  0.762323D+00 -0.207911D+01  0.223836D+01 -0.483005D+00
      3   0.440849D+01  0.923727D+01  0.346795D+01  0.445897D+01  0.460459D+00
               101           102           103           104           105 
      1  -0.906637D+00  0.423545D+01 -0.279276D+01  0.968169D+01 -0.206925D+01
      2   0.165067D+01  0.907900D+01  0.783820D+00  0.111548D+02  0.230893D+01
      3  -0.120981D+02 -0.340867D+01 -0.917064D+01 -0.796906D+00 -0.819297D+01
               106           107           108           109           110 
      1   0.165411D+01 -0.440064D+00 -0.206181D+01  0.411881D+01  0.964335D+01
      2   0.261172D+01 -0.433248D+00 -0.101825D+01 -0.264252D+02  0.286736D+01
      3  -0.227264D+01 -0.971110D+01 -0.431941D+01  0.129116D+02  0.824547D+01
               111           112           113           114           115 
      1  -0.371900D+01  0.196885D+02 -0.101801D+02 -0.885655D+01 -0.600787D+01
      2   0.297646D+01 -0.341623D+01 -0.319538D+01  0.632768D+01 -0.299401D+02
      3  -0.299263D+01  0.326477D+02 -0.128464D+02 -0.120162D+02  0.138219D+01
               116           117           118           119           120 
      1   0.337754D+01  0.342504D+01  0.180995D+01 -0.161336D+01 -0.204715D+01
      2   0.988113D+01  0.282962D+02  0.186298D+01  0.924296D+00  0.587993D+01
      3  -0.544987D+01 -0.181508D+01  0.815785D+01 -0.540249D+01 -0.325924D+01
               121           122           123           124           125 
      1  -0.290494D+00  0.109504D+01 -0.351267D+00 -0.141956D+01  0.140284D+01
      2  -0.287462D+01 -0.173452D+01  0.379791D+00  0.251343D+01 -0.172908D+00
      3  -0.228023D+01  0.178260D+01  0.237196D+01 -0.113656D+01  0.294149D+01
               126           127           128           129           130 
      1   0.741686D+00  0.543303D+00  0.104226D+01  0.730281D+00 -0.269631D+00
      2  -0.260229D+01 -0.474513D+01  0.167832D+01 -0.222262D+01  0.927909D+00
      3   0.113299D+01 -0.382883D+01  0.368401D+01 -0.209988D+01  0.244851D+01
               131           132           133           134           135 
      1  -0.312739D+01 -0.192966D+01 -0.125229D+00  0.107115D+01  0.917587D+00
      2  -0.681322D+01  0.755011D+01 -0.188182D+01  0.557514D+01 -0.644747D+01
      3  -0.153194D+02  0.722006D+01 -0.482227D+00  0.587083D+01 -0.582839D+01
               136           137           138           139           140 
      1   0.227221D+00  0.103364D+01 -0.153400D+01  0.234464D+01  0.215535D+01
      2   0.674747D+00  0.697541D+00  0.498934D+01 -0.306367D+01  0.104343D+01
      3  -0.205198D+01 -0.559820D+01 -0.114485D+01 -0.266065D+01 -0.805006D+01
               141           142           143           144           145 
      1  -0.121593D+01 -0.909735D+00  0.582276D+00 -0.958270D+00 -0.298016D+01
      2   0.322552D+01  0.156453D+01  0.244719D+01  0.239352D+01  0.308162D+01
      3  -0.395804D+01  0.962334D+00 -0.295800D+01 -0.106273D+01  0.514837D+01
               146           147           148           149           150 
      1   0.107088D+01 -0.128148D+01  0.252329D+01 -0.612044D+01  0.289926D+01
      2   0.374431D+00  0.255884D+01  0.494638D+00  0.444151D+01 -0.702196D+01
      3  -0.437082D+01  0.279019D+01 -0.550122D+01  0.139408D+02 -0.699516D+01
               151           152           153           154           155 
      1  -0.159640D+01  0.417273D+01 -0.319793D+01  0.132507D+01 -0.719156D+00
      2   0.118006D+01 -0.387333D+01  0.574221D+01  0.131115D+01 -0.110490D+01
      3   0.315686D+01 -0.505156D+01  0.585126D+01  0.805641D-01 -0.259849D+01
               156           157           158           159           160 
      1   0.219632D+01  0.210926D+01 -0.279554D+01 -0.346609D+01  0.115793D+01
      2   0.288673D+01  0.216161D+01  0.126462D+01 -0.384024D+01  0.622556D-01
      3  -0.244177D+00  0.723611D+00  0.997361D+01 -0.397906D+01 -0.199208D+01
               161           162           163           164           165 
      1  -0.986886D+00  0.183212D+01  0.545150D+01  0.153731D+01  0.393077D+01
      2  -0.268895D+01  0.186737D+01  0.931645D+00 -0.503979D+00  0.362102D+01
      3  -0.215167D+01  0.107006D+01 -0.983674D+01 -0.585412D+01 -0.511158D+01
               166           167           168           169           170 
      1   0.289489D+01  0.582405D+01  0.412419D+01  0.370967D+01  0.416966D+01
      2  -0.115316D+01  0.252742D+01  0.423056D+01  0.111816D+01  0.170317D+01
      3  -0.707706D+01 -0.920911D+01 -0.538299D+01 -0.469433D+01 -0.338247D+01
               171           172           173           174           175 
      1   0.515907D+01 -0.143394D+01 -0.193816D+01  0.362096D+01  0.799490D+00
      2   0.417978D+01  0.286426D+01 -0.186384D+01  0.419353D+01  0.136177D+01
      3  -0.576235D+01 -0.100811D+02 -0.200712D+01  0.390359D+01  0.961951D+00
               176           177           178           179           180 
      1  -0.133002D+01 -0.199544D+01  0.252206D+01  0.456472D+00 -0.167972D+01
      2  -0.166818D+01 -0.196028D+01  0.154145D+01 -0.962043D+00 -0.214874D+01
      3  -0.152183D+00  0.963188D+00  0.188679D+01  0.232176D+01 -0.112115D+01
               181           182           183           184           185 
      1  -0.212675D+01  0.134756D+01 -0.320574D+01  0.443176D+00 -0.331571D-01
      2  -0.580897D+01 -0.262201D+01 -0.401931D+01 -0.144904D+01 -0.610664D+01
      3   0.786782D+01  0.664684D+01  0.467815D+01  0.552397D+01  0.115002D+02
               186           187           188           189           190 
      1  -0.359746D+01 -0.994190D+00 -0.798705D+00 -0.342903D+01 -0.102576D+01
      2  -0.498873D+01 -0.377223D+01 -0.439122D+01 -0.563450D+01 -0.183829D+01
      3   0.582187D+01  0.272121D+01  0.510572D+01  0.574872D+01  0.674041D+01
               191           192           193           194           195 
      1   0.348095D+01 -0.261989D+01 -0.633459D+00 -0.509088D+00 -0.555957D+01
      2  -0.212683D+01  0.665973D+00 -0.128497D+01 -0.655824D+00  0.972812D+00
      3   0.307038D+01  0.370109D+01  0.617155D+01  0.321462D+01  0.158055D+01
               196           197           198           199           200 
      1  -0.201700D+01 -0.174799D+01 -0.246373D+01 -0.496519D+01 -0.390643D+00
      2  -0.987882D+00  0.562699D+00  0.657685D+00  0.582702D+01 -0.213615D+01
      3   0.296351D+01 -0.816066D+00  0.974184D+00 -0.148449D+02  0.415124D+01
               201           202           203           204           205 
      1   0.754908D+01 -0.372769D+00 -0.361034D+01 -0.162440D+01  0.451797D+01
      2  -0.202197D+01 -0.693404D+00  0.203753D+01  0.677049D+00 -0.376524D+01
      3   0.714644D+01  0.308751D+01 -0.400690D+01 -0.184542D+01  0.535556D+01
               206           207           208           209           210 
      1  -0.692461D+00 -0.607832D+01  0.154872D+01  0.321841D+01  0.354587D+00
      2   0.957308D+00  0.242028D+01 -0.117179D+01  0.801557D+00  0.141582D+00
      3  -0.246161D+01 -0.585253D+01 -0.296458D+01  0.303776D+01 -0.273459D+01
               211           212           213           214           215 
      1  -0.772265D+00 -0.134952D+01 -0.612025D+01  0.639372D+00 -0.262145D+01
      2   0.161288D+01 -0.174195D+01  0.130652D+01 -0.147294D+01  0.892587D+00
      3   0.615164D+01 -0.707274D+01  0.299087D+01 -0.298868D+01  0.722843D+00
               216           217           218           219           220 
      1   0.261638D+01  0.645942D+01 -0.649270D+00 -0.781435D+01 -0.126157D+01
      2  -0.373800D+00  0.403742D+01  0.659134D+00  0.100566D+01 -0.709592D+00
      3  -0.106058D+01  0.156555D+02 -0.837028D+00 -0.722060D+01 -0.200410D+01
               221           222           223           224           225 
      1   0.442980D+01  0.130775D+01 -0.556444D+01  0.113723D+01  0.650992D+01
      2  -0.470101D-01 -0.316354D+00 -0.179158D+01  0.165136D+00 -0.985582D-01
      3   0.304147D+01  0.116145D+01 -0.581610D+01 -0.201492D+00  0.578136D+01
               226           227           228           229           230 
      1  -0.656024D+00  0.402803D+01  0.642291D+00  0.579360D+00  0.118457D+01
      2  -0.904380D+01  0.424953D+01 -0.714012D+00  0.109243D+01  0.583579D+00
      3  -0.119831D+02  0.222317D+01 -0.242688D+01  0.222789D+01  0.138928D+00
               231           232           233           234           235 
      1  -0.203170D+01  0.218992D+01 -0.209452D+01  0.516049D+00  0.180314D+01
      2  -0.889428D+00  0.177631D+01 -0.271413D+01 -0.708597D-01  0.290222D+00
      3  -0.642950D+00  0.228088D+01 -0.131191D+01 -0.222604D+00 -0.154859D+00
               236           237           238           239           240 
      1   0.408981D+00 -0.911682D+00  0.166409D+01 -0.119638D+01  0.392884D+01
      2   0.301767D+00 -0.120053D+01  0.105664D-01 -0.277242D+01  0.215545D+01
      3  -0.800471D+00 -0.165743D+01  0.379647D+00 -0.183641D+01  0.131989D+00
               241           242           243           244           245 
      1   0.268460D+01  0.339976D+00  0.153719D+02 -0.174142D+01  0.248338D+01
      2  -0.145553D+01 -0.156155D+01  0.411899D+01 -0.952615D+01 -0.104811D+01
      3  -0.180076D+01 -0.168393D+01 -0.161412D+01  0.117277D+02 -0.276014D+01
               246           247           248           249           250 
      1  -0.137461D+01  0.493948D+00 -0.199704D+01 -0.111932D+01 -0.151807D+01
      2   0.281373D+00  0.321089D+01  0.203702D+01  0.164413D+01  0.359393D+01
      3   0.193783D+01 -0.278127D+01  0.576991D-01 -0.154380D+01 -0.271535D+01
               251           252           253           254           255 
      1  -0.372706D+00 -0.508404D+00 -0.688463D+00  0.497708D+00  0.142759D+01
      2   0.208812D+01  0.199655D+00 -0.377309D-01 -0.167889D+01 -0.266015D+01
      3  -0.290811D+00  0.177993D+00  0.267491D+00 -0.106825D+00  0.156874D+01
               256           257           258           259           260 
      1   0.181088D+01 -0.819782D+00  0.245407D+01 -0.245502D+01  0.205294D+01
      2  -0.188806D+01 -0.204691D+01 -0.270486D+01  0.198634D+00  0.128963D+01
      3   0.105286D+01  0.174068D+01 -0.502992D+00  0.103168D+01 -0.224108D+01
               261           262           263           264           265 
      1  -0.126592D+02 -0.288677D+01 -0.328894D+01  0.679308D+00 -0.432256D+01
      2   0.969176D+01  0.306905D+01  0.217676D+01  0.204516D+01  0.671720D+01
      3   0.164717D+01 -0.474065D+01 -0.633905D+01  0.623154D+00 -0.638138D+01
               266           267           268           269           270 
      1  -0.447658D+01  0.664818D+00 -0.133256D+01  0.245260D+00 -0.292775D+00
      2   0.597479D+00 -0.947477D+00  0.411676D+01  0.806936D+00 -0.423938D+00
      3  -0.688977D+01  0.242882D+01 -0.226297D+01 -0.131051D+01 -0.221782D+00
               271           272           273           274           275 
      1  -0.123052D+01  0.116832D+01  0.214391D+00  0.257106D+00 -0.126414D+01
      2   0.222178D+01 -0.811830D+00 -0.455473D+01 -0.172728D+01 -0.155137D+01
      3  -0.125688D+01  0.263088D+00  0.962491D+00  0.141622D+01 -0.748632D+00
               276           277           278           279           280 
      1   0.591700D+00 -0.134959D-01  0.301546D+01 -0.413074D+01  0.839513D-01
      2   0.103900D+01  0.125662D+01  0.115020D+01 -0.153633D+02  0.372607D+01
      3   0.139191D+01 -0.557789D+00  0.237597D+01 -0.162655D+01  0.552824D+01
               281           282           283           284           285 
      1  -0.674625D+01  0.121698D+01 -0.208913D+01 -0.469629D+01 -0.179879D+01
      2   0.349279D+01 -0.406694D+00  0.317570D+01  0.324111D+01 -0.966080D+00
      3   0.640367D+01 -0.232256D+01  0.649483D+01  0.630515D+01 -0.882852D+00
               286           287           288           289           290 
      1  -0.226272D+00 -0.436453D+01  0.419481D+00  0.931120D+00  0.220040D+01
      2  -0.438591D+00  0.755320D+00  0.326860D+00  0.153970D+01  0.664132D-01
      3   0.981661D+00  0.244128D+01  0.217977D+00  0.952453D+00 -0.145692D+01
               291           292           293           294           295 
      1  -0.156299D+01  0.141760D+01 -0.199116D+01  0.438305D+01 -0.593687D+00
      2  -0.773510D+00 -0.947305D+00  0.778667D+00  0.296677D+00 -0.311856D+01
      3  -0.124177D+01 -0.299126D+00  0.103440D+01 -0.112589D+01 -0.245387D+01
               296           297           298           299           300 
      1  -0.131190D+01  0.146940D+02 -0.184158D+01 -0.458585D+01 -0.171287D+01
      2  -0.548394D+00  0.610319D+01  0.216721D+01 -0.100186D+01  0.776257D+00
      3   0.241487D+00  0.163060D+01 -0.982784D+00  0.420148D+01  0.174585D+01
               301           302           303           304           305 
      1  -0.330020D-01  0.883831D+01 -0.621300D+00 -0.164480D+01 -0.396680D+01
      2  -0.245892D+01  0.253096D+01  0.140894D+01 -0.624667D-03  0.105057D+01
      3   0.419363D+01 -0.108442D+02 -0.174876D+01 -0.769047D-01  0.269673D+01
               306           307           308           309           310 
      1  -0.258242D+00  0.137710D+01  0.230109D+01  0.260796D+01  0.196425D+01
      2   0.469745D+00  0.131537D+01 -0.145476D+01 -0.196460D+01 -0.192106D+00
      3  -0.159532D+00 -0.157315D+01 -0.121216D+01  0.697260D+00 -0.818060D-01
               311           312           313           314           315 
      1   0.483670D+00  0.321542D+01 -0.943345D+00 -0.635082D+00 -0.112487D+02
      2   0.458393D+00 -0.134898D+01 -0.253014D+01  0.209367D+01  0.112937D+02
      3  -0.413620D+00 -0.152591D+01  0.238678D+01 -0.729228D+00 -0.163281D+01
               316           317           318           319           320 
      1   0.287935D+00 -0.221389D+01  0.509543D+00 -0.477474D+01  0.796428D+01
      2  -0.407559D+00 -0.975204D+00  0.217285D+01 -0.478431D+01  0.112081D+01
      3   0.529521D+00 -0.379032D+01  0.318812D+00 -0.364255D+01  0.110657D+02
               321           322           323           324           325 
      1   0.816912D+00  0.259249D+01 -0.115858D+01  0.120310D+00  0.256812D+01
      2  -0.254870D+00  0.271445D+01 -0.204833D+01 -0.523719D+00  0.177375D+01
      3   0.242337D+01  0.157781D+01 -0.207150D+01  0.213735D+00  0.175109D+01
               326           327           328           329           330 
      1   0.550135D+00 -0.176883D+01  0.773738D-01 -0.213418D-01  0.872771D+00
      2  -0.115935D+01 -0.428629D+01  0.280820D-01 -0.203298D+01  0.511268D+00
      3  -0.170628D+00 -0.371168D+00  0.988728D+00  0.229031D+00  0.163832D+01
               331           332           333 
      1   0.134086D+01  0.198581D+01 -0.208501D+01
      2   0.185190D+00 -0.246762D+01 -0.157607D+02
      3   0.142356D+01  0.200170D+01  0.162847D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.708916D+01 -0.139118D+02  0.801649D+01 -0.948146D+01  0.249877D+02
      2   0.113292D+02  0.243765D+02 -0.898322D+01  0.177509D+02 -0.367794D+02
      3  -0.424005D+01 -0.104646D+02  0.966735D+00 -0.826943D+01  0.117917D+02
      4  -0.107411D+02  0.586684D+01  0.128428D+02  0.601728D+01  0.136276D+02
      5   0.858149D+01  0.544801D+00 -0.792925D+01 -0.282713D+01 -0.291966D+01
      6   0.142760D+02 -0.943049D+01 -0.550536D+01 -0.441859D+01  0.235400D+02
                 6             7             8             9            10 
      1  -0.122192D+02  0.610485D+01 -0.994741D+01 -0.125958D+01  0.115163D+02
      2   0.225823D+02 -0.655292D+01  0.184245D+02 -0.227066D+01 -0.161789D+02
      3  -0.103631D+02  0.448066D+00 -0.847708D+01  0.353024D+01  0.466260D+01
      4  -0.779515D+00  0.108814D+02 -0.204057D+01 -0.455513D+01  0.231094D+01
      5  -0.512189D+00 -0.665455D+01  0.307917D+00  0.613921D+00 -0.673433D+00
      6  -0.647583D+01 -0.419816D+01 -0.727325D+01 -0.516730D+01 -0.218892D+02
                11            12            13            14            15 
      1   0.998631D+01 -0.103100D+01  0.754254D+01 -0.245083D+01  0.753279D+01
      2  -0.232013D+02 -0.361146D+01 -0.187169D+02  0.208040D+00 -0.167131D+02
      3   0.132150D+02  0.464246D+01  0.111744D+02  0.224279D+01  0.918032D+01
      4  -0.231924D+02 -0.187613D+02 -0.194448D+02 -0.192614D+02 -0.580888D+01
      5  -0.859880D+01 -0.560223D+01 -0.366802D+01 -0.856208D+01  0.275962D+00
      6  -0.731086D+01  0.541485D+01 -0.433143D+01 -0.150608D+02 -0.882159D+01
                16            17            18            19            20 
      1  -0.160885D+01  0.546437D+01  0.162403D+01 -0.160329D+02 -0.426845D+01
      2  -0.198188D+01 -0.132615D+02 -0.497306D+01  0.105170D+02  0.687416D+01
      3   0.359074D+01  0.779718D+01  0.334902D+01  0.551584D+01 -0.260571D+01
      4  -0.155582D+02 -0.574551D+01  0.317304D+01 -0.675944D+01  0.620630D+01
      5  -0.531983D+01 -0.873087D+00  0.265106D+01 -0.386321D+01  0.295242D+01
      6   0.369422D+01 -0.811465D+01  0.489350D+01  0.515266D+01  0.296748D+01
                21            22            23            24            25 
      1  -0.201903D+01 -0.819803D+01 -0.898679D+01 -0.993945D+01 -0.922185D+00
      2  -0.105763D+00  0.129296D+02  0.731094D+01  0.112435D+02  0.156068D+01
      3   0.212479D+01 -0.473161D+01  0.167585D+01 -0.130401D+01 -0.638499D+00
      4   0.264761D+01  0.867613D+01  0.893876D+01  0.534662D+01  0.817095D+00
      5   0.503907D+01  0.192457D+01  0.923112D+01  0.206272D+01  0.411942D+01
      6   0.218355D+01  0.436059D+01  0.793223D+01  0.796455D+01  0.734866D-01
                26            27            28            29            30 
      1  -0.561430D+01  0.351543D+01 -0.106333D+02 -0.113012D+00 -0.508161D+01
      2   0.516771D+01  0.109978D+02  0.420659D+01  0.908387D-01  0.507166D+01
      3   0.446584D+00 -0.145132D+02  0.642675D+01  0.221737D-01  0.994448D-02
      4   0.414237D+01  0.252200D+00 -0.113932D+00 -0.724779D+01  0.339894D+01
      5   0.713413D+00 -0.364773D+01 -0.309400D+01  0.208787D+01 -0.477373D+01
      6   0.639150D+01 -0.625257D+01  0.209285D+01  0.315374D+01 -0.548260D-02
                31            32            33            34            35 
      1  -0.974223D-01  0.405899D+01  0.339696D+01 -0.720338D+01  0.489270D+01
      2   0.712295D-01 -0.104413D+02 -0.337369D+01  0.721217D+01 -0.488343D+01
      3   0.261928D-01  0.638228D+01 -0.232687D-01 -0.878583D-02 -0.926860D-02
      4  -0.741387D+01 -0.620628D-01  0.513727D+01  0.485060D+01  0.727511D+01
      5   0.205547D+01  0.316395D+01 -0.347524D-01  0.206304D+01 -0.212296D-01
      6   0.314370D+01 -0.215706D+01 -0.473514D+01 -0.114619D-01  0.215703D+01
                36            37            38            39            40 
      1   0.730753D+00 -0.160650D+01  0.230202D+01  0.711147D+00  0.673338D+01
      2   0.789668D+00 -0.587254D+01 -0.249753D+01 -0.328063D+01 -0.891953D+01
      3  -0.152042D+01  0.747904D+01  0.195516D+00  0.256948D+01  0.218616D+01
      4  -0.252144D-01  0.116228D+02 -0.456601D+01 -0.255931D+01 -0.653317D+01
      5   0.393503D-01 -0.453241D+01  0.253717D+01  0.391700D+01  0.405986D+01
      6  -0.269147D-01 -0.133519D+01 -0.169860D+00 -0.571567D+00  0.801780D+00
                41            42            43            44            45 
      1  -0.184800D+02  0.111683D+02  0.154078D+01  0.685187D+01  0.445477D+01
      2   0.187463D+02 -0.116381D+02 -0.822867D+00 -0.673512D+01  0.995478D+01
      3  -0.266258D+00  0.469788D+00 -0.717918D+00 -0.116753D+00 -0.144095D+02
      4   0.200019D+01 -0.300605D+01 -0.898689D-02 -0.101325D+01  0.248555D+01
      5   0.440221D+01 -0.399715D+00  0.407737D+01  0.232990D+00 -0.100688D+01
      6  -0.128474D+02  0.894792D+01  0.819730D+00  0.618952D+01  0.716381D+01
                46            47            48            49            50 
      1   0.298958D+01  0.926802D+01  0.957468D+01  0.393638D+01  0.136903D+02
      2  -0.560117D+01 -0.416635D+01 -0.801167D+01 -0.983810D+00 -0.181992D+02
      3   0.261158D+01 -0.510166D+01 -0.156301D+01 -0.295257D+01  0.450886D+01
      4   0.810916D+01  0.126449D+02  0.751018D+01  0.893081D+01 -0.561302D+00
      5   0.578883D+01  0.415497D+01  0.738439D+01  0.260108D+01  0.644989D+01
      6   0.927297D+01  0.407466D+01  0.238726D+01  0.490462D+01 -0.225304D+01
                51            52            53            54            55 
      1   0.440337D+00  0.380950D+01  0.185297D+01  0.107385D+02  0.765061D+01
      2  -0.239953D+01 -0.429057D+01 -0.133380D+01  0.369191D+01 -0.739070D+01
      3   0.195920D+01  0.481066D+00 -0.519166D+00 -0.144304D+02 -0.259913D+00
      4   0.379552D+01  0.522026D+01  0.177917D+01  0.116196D+01 -0.122615D+02
      5   0.243757D+01  0.621899D+01  0.335137D+00 -0.564245D+01 -0.127903D+02
      6   0.560523D+01  0.950650D+00  0.422637D+01 -0.439692D+01 -0.860365D+01
                56            57            58            59            60 
      1  -0.102543D+02 -0.147254D+02 -0.133299D+02 -0.201205D+02 -0.674229D+00
      2  -0.416531D+00  0.624596D+01  0.710711D+00  0.121297D+02 -0.529164D+01
      3   0.106708D+02  0.847942D+01  0.126192D+02  0.799073D+01  0.596587D+01
      4  -0.239428D+02 -0.635226D+01 -0.286042D+02 -0.815639D+01 -0.199729D+02
      5  -0.279116D+01 -0.951793D+01 -0.503279D+01 -0.233328D+02  0.507303D+01
      6  -0.498366D+01 -0.289380D+00 -0.103875D+02 -0.555143D+01 -0.507241D+01
                61            62            63            64            65 
      1  -0.112886D+02  0.540450D+00 -0.573477D+01 -0.432598D+02  0.821357D+01
      2   0.415758D+01 -0.513618D+01  0.232481D+01  0.293059D+02 -0.227182D+01
      3   0.713102D+01  0.459573D+01  0.340995D+01  0.139539D+02 -0.594175D+01
      4  -0.594378D+01 -0.161647D+02  0.205269D+01  0.239727D+01  0.108590D+02
      5  -0.849588D+01  0.313601D+01  0.433392D+01  0.250945D+02 -0.243523D+01
      6  -0.139075D+01 -0.510314D+01  0.318199D+01  0.757904D+00 -0.477115D+01
                66            67            68            69            70 
      1   0.233905D+02  0.151349D+02  0.182135D+02 -0.951381D+01  0.194407D+02
      2  -0.130881D+02 -0.688350D+01 -0.117235D+02  0.978115D+01 -0.110259D+02
      3  -0.103024D+02 -0.825137D+01 -0.649003D+01 -0.267334D+00 -0.841477D+01
      4   0.231548D+01  0.121331D+02 -0.543159D+01  0.108214D+02  0.465186D+00
      5  -0.562408D+01 -0.817362D+01  0.117271D+02 -0.526674D+01 -0.671120D+01
      6  -0.210690D+00 -0.205052D+01  0.999891D+01 -0.892543D+01  0.320881D+00
                71            72            73            74            75 
      1  -0.679173D+01 -0.103573D+01  0.182742D+02 -0.335182D+01 -0.100836D+02
      2   0.744908D+01 -0.248492D+01 -0.178100D+02  0.223201D+01  0.990971D+01
      3  -0.657342D+00  0.352065D+01 -0.464220D+00  0.111981D+01  0.173883D+00
      4   0.911305D+01 -0.451608D+01  0.876116D+01 -0.855385D+01 -0.548255D+01
      5  -0.417420D+01 -0.517900D+01 -0.130573D+02 -0.140242D+01  0.900731D+01
      6  -0.723377D+01 -0.498207D-01  0.166091D+01  0.495338D+01  0.305678D+00
                76            77            78            79            80 
      1   0.223532D+01 -0.935622D+01 -0.386303D+01 -0.617837D+01 -0.164796D+01
      2  -0.140087D+01  0.177585D+01  0.126868D+01  0.617616D+01  0.236748D+01
      3  -0.834450D+00  0.758037D+01  0.259435D+01  0.221030D-02 -0.719515D+00
      4  -0.524241D+01  0.884569D+01 -0.370671D+01 -0.273636D+01 -0.594433D+00
      5  -0.204904D+01 -0.999484D+00  0.109126D+00  0.608459D+01  0.115560D+01
      6   0.328596D+01 -0.363858D+01  0.390797D+01  0.534784D+00  0.424828D+01
                81            82            83            84            85 
      1   0.926049D+01 -0.427363D+00  0.563461D+01  0.254858D+01  0.699238D+01
      2   0.516439D+01 -0.524069D+01 -0.101406D+02 -0.376151D+00 -0.947677D+01
      3  -0.144249D+02  0.566805D+01  0.450601D+01 -0.217243D+01  0.248439D+01
      4   0.317016D+01 -0.129872D+01  0.968571D+01 -0.911903D+01  0.416425D+01
      5   0.721136D+01  0.156463D+01 -0.853818D-01  0.536588D+01  0.156608D+01
      6  -0.997236D-01 -0.534313D+01  0.735103D+01 -0.229587D+01  0.751381D+01
                86            87            88            89            90 
      1   0.573067D+01  0.175645D+01 -0.118159D+01  0.310864D+00  0.888618D+01
      2  -0.711618D+01 -0.723996D+00  0.499040D+00 -0.724165D+00  0.551563D+01
      3   0.138552D+01 -0.103245D+01  0.682547D+00  0.413301D+00 -0.144018D+02
      4  -0.180774D+02  0.775685D+01 -0.507293D+01  0.483573D+01 -0.336009D+01
      5   0.704449D+01 -0.233002D+01  0.542143D+01 -0.888234D+00 -0.347258D+01
      6  -0.578599D+01  0.751823D+01 -0.155102D+01  0.498766D+01  0.628159D+01
                91            92            93            94            95 
      1   0.450304D+01 -0.141807D+02 -0.113311D+02 -0.142967D+02 -0.458992D+00
      2   0.289801D+01  0.183201D+02  0.557779D+01  0.206064D+02 -0.142255D+02
      3  -0.740105D+01 -0.413936D+01  0.575335D+01 -0.630967D+01  0.146845D+02
      4  -0.109089D+02 -0.854962D+01  0.658522D+01 -0.136826D+02  0.306171D+02
      5  -0.973845D+01 -0.304801D+01 -0.106081D+02 -0.285841D+01 -0.182049D+02
      6   0.695082D+01 -0.302010D+01  0.277266D+01 -0.863260D+01  0.195522D+02
                96            97            98            99           100 
      1  -0.860943D+01 -0.868111D+01 -0.804724D+01 -0.593470D+01 -0.277194D+02
      2   0.174229D+02  0.364704D+01  0.151012D+02  0.253052D+01  0.118459D+02
      3  -0.881350D+01  0.503407D+01 -0.705395D+01  0.340418D+01  0.158736D+02
      4  -0.161271D+02  0.573081D+01 -0.126040D+02  0.156668D+01  0.289570D+02
      5  -0.249621D+01 -0.866571D+01 -0.142345D+01  0.250544D+01  0.231505D+02
      6  -0.404104D+01  0.303653D+01 -0.503046D+01 -0.437739D+01 -0.143903D+02
               101           102           103           104           105 
      1   0.193829D+02  0.205726D+02  0.152807D+02  0.107360D+02  0.660717D+01
      2  -0.161803D+02 -0.110735D+02 -0.143546D+02 -0.220029D+01 -0.110943D+02
      3  -0.320258D+01 -0.949905D+01 -0.926115D+00 -0.853567D+01  0.448709D+01
      4  -0.333826D+01 -0.132448D+02  0.139747D+01 -0.120036D+02  0.679166D+01
      5  -0.630122D+01 -0.422428D+01 -0.347059D+00  0.710099D+01  0.348797D+01
      6  -0.478775D+01 -0.167116D+01 -0.435293D+01 -0.971707D+01 -0.104812D+02
               106           107           108           109           110 
      1   0.175357D+02  0.430844D+01  0.185158D+01  0.702231D+00 -0.955648D+01
      2  -0.994206D+01 -0.838742D+01 -0.530540D+01 -0.132707D+01  0.783732D+01
      3  -0.759364D+01  0.407898D+01  0.345382D+01  0.624840D+00  0.171916D+01
      4  -0.997576D+01  0.593084D+01  0.270881D+01 -0.201197D+02 -0.659127D+00
      5  -0.542096D+01  0.351179D+01 -0.455019D+01 -0.862849D+01  0.694985D+01
      6  -0.856485D+00 -0.848703D+01  0.191906D+01  0.569141D+01  0.325778D+01
               111           112           113           114           115 
      1  -0.289649D+01 -0.116665D+02 -0.778797D+01  0.172110D+01 -0.198670D+01
      2   0.371435D+01  0.781781D+01  0.125175D+01  0.689864D+00  0.179276D+01
      3  -0.817853D+00  0.384868D+01  0.653622D+01 -0.241097D+01  0.193946D+00
      4   0.839917D+01  0.479586D+01 -0.101240D+01 -0.815371D+01  0.496685D+01
      5   0.813480D+01  0.685843D+01 -0.359511D+01 -0.185006D+01  0.523001D+01
      6  -0.200600D+01  0.153692D+01  0.138895D+01  0.478525D+01 -0.885080D+00
               116           117           118           119           120 
      1   0.147963D+01  0.639063D+01  0.786830D+02 -0.162622D+01 -0.198258D+02
      2  -0.219424D+01  0.793936D+01 -0.451878D+02  0.195165D+01  0.136390D+02
      3   0.714608D+00 -0.143300D+02 -0.334953D+02 -0.325428D+00  0.618675D+01
      4  -0.402850D+01 -0.362030D+01  0.863523D+01  0.810995D+01 -0.183269D+01
      5  -0.151517D+01  0.666829D+01 -0.313775D+02  0.764917D+00  0.182408D+02
      6   0.509699D+01 -0.270148D+01 -0.314385D+01 -0.167022D+01  0.276878D+01
               121           122           123           124           125 
      1  -0.136461D+02  0.724196D+01  0.511758D+01 -0.166476D+02  0.148428D+01
      2   0.949550D+01 -0.388008D+01 -0.477295D+01  0.135181D+02 -0.200973D+01
      3   0.415057D+01 -0.336188D+01 -0.344625D+00  0.312948D+01  0.525452D+00
      4   0.961855D+01 -0.892267D+00 -0.459242D+01 -0.196476D+01 -0.351001D+01
      5   0.637362D+01 -0.591323D+01 -0.295118D+01  0.217763D+02  0.842164D-02
      6  -0.245787D+01 -0.973683D+00  0.284447D+01  0.284794D+01  0.281892D+01
               126           127           128           129           130 
      1   0.128831D+02  0.271328D+00  0.574046D+01 -0.727783D+01  0.443630D+01
      2  -0.107458D+02  0.806756D+00 -0.401297D+01  0.367295D+01 -0.138997D+01
      3  -0.213727D+01 -0.107808D+01 -0.172749D+01  0.360488D+01 -0.304632D+01
      4   0.192260D+01  0.191157D+01  0.952521D-01 -0.115563D+01  0.696826D+01
      5  -0.132139D+02 -0.454491D+01 -0.770510D+00  0.625723D+00 -0.304170D+01
      6  -0.152361D+01 -0.355049D+01  0.282437D+01 -0.198852D+01 -0.189963D+01
               131           132           133           134           135 
      1  -0.136930D+02  0.789936D+01 -0.601034D+01  0.559405D+01 -0.704758D+01
      2   0.186255D+02 -0.647806D+01  0.328311D+01 -0.336378D+01  0.214145D+01
      3  -0.493248D+01 -0.142130D+01  0.272723D+01 -0.223027D+01  0.490612D+01
      4   0.228880D+02 -0.104694D+02 -0.420819D+01 -0.878707D+01  0.820084D+01
      5  -0.105137D+02  0.117888D+02  0.475096D+01  0.876684D+01 -0.106343D+02
      6  -0.171601D+02  0.128224D+02  0.136277D+01  0.114437D+02 -0.112525D+02
               136           137           138           139           140 
      1   0.330056D+02  0.159617D+02  0.934175D+01  0.186307D+02  0.109041D+02
      2  -0.121507D+02 -0.296531D+01 -0.449003D+01 -0.147142D+01  0.550014D+01
      3  -0.208549D+02 -0.129964D+02 -0.485171D+01 -0.171593D+02 -0.164043D+02
      4   0.304998D+02  0.227827D+02  0.910329D+01  0.321717D+02  0.334660D+02
      5   0.177334D+02  0.910651D+01  0.125847D+02  0.126621D+02  0.147963D+02
      6   0.804349D+01  0.575494D+01  0.469624D+01  0.962410D+01  0.116780D+02
               141           142           143           144           145 
      1   0.315882D+01  0.790981D+01  0.197935D+01  0.596309D+01  0.145519D+02
      2   0.865390D+00 -0.503275D+01 -0.500541D+00 -0.384046D+01 -0.973091D+01
      3  -0.402421D+01 -0.287706D+01 -0.147881D+01 -0.212263D+01 -0.482102D+01
      4   0.142965D+02  0.958294D+01  0.105092D+02  0.107975D+02 -0.575907D+01
      5   0.102845D+02  0.160619D+02  0.100996D+02  0.111905D+02  0.118504D+02
      6   0.864599D+01  0.729990D+01  0.837401D+01  0.672975D+01 -0.121874D+01
               146           147           148           149           150 
      1  -0.683621D+01  0.808538D+01 -0.136369D+02  0.841945D+01 -0.350780D+01
      2   0.501883D+01 -0.605206D+01  0.105313D+02 -0.711563D+01  0.678750D+01
      3   0.181737D+01 -0.203332D+01  0.310566D+01 -0.130381D+01 -0.327970D+01
      4   0.765961D+01 -0.192607D+01  0.112914D+02 -0.165098D+02  0.107190D+02
      5  -0.430528D+01  0.982294D+01 -0.917080D+01  0.128362D+02 -0.142035D+02
      6   0.200796D+01 -0.302280D+00  0.430315D+01 -0.600090D+01  0.357195D+01
               151           152           153           154           155 
      1   0.901151D+01 -0.835009D+00  0.426679D+01  0.559203D+01 -0.468959D+01
      2  -0.821131D+01  0.429100D+01 -0.916406D+01  0.372714D+01 -0.532154D+01
      3  -0.800195D+00 -0.345599D+01  0.489727D+01 -0.931916D+01  0.100111D+02
      4  -0.125748D+01  0.742714D+01 -0.653582D+01 -0.168406D+02  0.191509D+02
      5   0.121092D+02 -0.822496D+01  0.153431D+02  0.762735D+01 -0.571295D+01
      6  -0.809884D+00  0.412912D+01 -0.242776D+01 -0.650750D+01  0.494771D+01
               156           157           158           159           160 
      1   0.341018D+01 -0.956294D+00 -0.142054D+02  0.624077D+01  0.151361D+01
      2  -0.385384D+00 -0.132298D+02  0.416638D+02 -0.117354D+02  0.706492D+00
      3  -0.302480D+01  0.141861D+02 -0.274584D+02  0.549459D+01 -0.222011D+01
      4  -0.643750D+01  0.261665D+02 -0.454889D+02  0.142775D+02 -0.758750D+01
      5   0.685862D+01 -0.737545D+01  0.146343D+02 -0.946177D+01  0.890957D+01
      6  -0.411059D+01  0.958366D+01 -0.237811D+02  0.144067D+02 -0.763460D+01
               161           162           163           164           165 
      1   0.544052D+01 -0.310322D+01  0.257320D+02  0.709324D+01  0.105051D+02
      2  -0.793956D+01  0.527400D+01 -0.196132D+02 -0.715763D+01 -0.974545D+01
      3   0.249903D+01 -0.217077D+01 -0.611880D+01  0.643922D-01 -0.759611D+00
      4   0.121983D+02 -0.112693D+02 -0.292764D+01  0.476145D+01 -0.208168D+01
      5  -0.104676D+02  0.790205D+01  0.172309D+02  0.329304D+01  0.139283D+02
      6   0.157463D+02 -0.106406D+02 -0.267376D+01  0.156909D+01 -0.401512D+01
               166           167           168           169           170 
      1   0.145176D+02  0.739473D+01  0.577340D+01  0.884462D+01  0.190353D+01
      2  -0.134353D+02 -0.744423D+01 -0.968812D+01 -0.933626D+01 -0.542233D+01
      3  -0.108230D+01  0.495049D-01  0.391472D+01  0.491633D+00  0.351879D+01
      4   0.326276D+01  0.445535D+01  0.517393D+01 -0.364052D+01  0.517004D+01
      5   0.849169D+01  0.859239D+01  0.957885D+01  0.140701D+02  0.400841D+01
      6   0.192903D+01 -0.185076D+00 -0.507649D+00 -0.335124D+01  0.202478D+01
               171           172           173           174           175 
      1   0.681433D+01  0.562375D+02 -0.137677D+02 -0.152609D+02 -0.351856D+01
      2  -0.118041D+02 -0.255993D+02  0.221240D+01  0.935934D+01 -0.359146D+01
      3   0.498981D+01 -0.306382D+02  0.115553D+02  0.590153D+01  0.711002D+01
      4  -0.108049D+00 -0.422471D+02  0.205192D+02  0.123247D+02  0.149241D+02
      5   0.151894D+02 -0.275000D+02  0.795959D+01  0.160482D+02  0.279552D+01
      6  -0.372105D+01  0.128575D+02 -0.531995D+01 -0.823773D+01 -0.415238D+01
               176           177           178           179           180 
      1   0.511230D+01 -0.880701D+00 -0.112320D+02  0.124313D+01  0.814615D+01
      2   0.138100D+01  0.311587D+01  0.841332D+01  0.662857D+00 -0.595708D+01
      3  -0.649329D+01 -0.223517D+01  0.281872D+01 -0.190599D+01 -0.218908D+01
      4  -0.113773D+02 -0.513225D+01  0.110059D+02 -0.613444D+01 -0.984093D+01
      5  -0.579941D+01 -0.274354D+01  0.180683D+02 -0.643874D+01 -0.117030D+02
      6   0.538257D+01  0.517460D+01 -0.933884D+01  0.670163D+01  0.651812D+01
               181           182           183           184           185 
      1  -0.561119D+01 -0.121380D+02 -0.955580D+01 -0.659566D+01 -0.207175D+02
      2   0.543324D+01  0.125308D+02  0.555803D+01  0.573875D+01  0.267522D+02
      3   0.177958D+00 -0.392844D+00  0.399777D+01  0.856908D+00 -0.603467D+01
      4   0.223739D+01  0.720708D+00  0.359863D+01  0.405136D+01 -0.799948D+01
      5  -0.149350D+01  0.116997D+01 -0.939558D+00  0.147520D+01 -0.455205D+01
      6   0.703491D+01  0.746186D+01  0.760624D+01  0.229824D+01  0.180428D+02
               186           187           188           189           190 
      1  -0.102495D+02 -0.548143D+01 -0.889585D+01 -0.113906D+02 -0.942651D+00
      2   0.104567D+02  0.208257D+01  0.796210D+01  0.648674D+01  0.133613D+02
      3  -0.207170D+00  0.339885D+01  0.933753D+00  0.490388D+01 -0.124187D+02
      4  -0.412448D+01  0.474970D+01 -0.530251D+01 -0.259572D+01  0.249758D+02
      5  -0.600843D+01  0.219825D+01 -0.496916D+01 -0.566701D+01  0.786788D+01
      6   0.144465D+02  0.237088D+01  0.140163D+02  0.145609D+02  0.129666D+02
               191           192           193           194           195 
      1  -0.704674D+01 -0.183994D+01 -0.598617D+01 -0.210169D+02 -0.693655D+01
      2   0.230113D+02  0.506394D+01  0.176682D+02  0.452160D+02  0.122049D+02
      3  -0.159646D+02 -0.322399D+01 -0.116820D+02 -0.241991D+02 -0.526839D+01
      4   0.283305D+02  0.122605D+02  0.194397D+02  0.293762D+02  0.853329D+01
      5   0.804218D+01  0.670603D+01  0.472085D+01  0.720792D+01  0.387699D+01
      6   0.128129D+02  0.938127D+01  0.883551D+01  0.214599D+02  0.144843D+02
               196           197           198           199           200 
      1  -0.217180D+01 -0.780611D+01 -0.647868D+01 -0.397520D+01  0.762718D+01
      2   0.319710D+01  0.109130D+02  0.852970D+01  0.595167D+01 -0.111475D+02
      3  -0.102530D+01 -0.310686D+01 -0.205102D+01 -0.197647D+01  0.352037D+01
      4   0.861327D+01  0.867108D+01  0.898708D+01 -0.204879D+02  0.122974D+02
      5   0.619763D+01  0.591267D+01  0.515422D+01 -0.847732D+01  0.463940D+01
      6   0.863582D+01  0.181433D+02  0.119146D+02  0.133036D+02 -0.813218D+01
               201           202           203           204           205 
      1   0.442152D+01  0.327078D+01 -0.641521D+01 -0.483800D+01  0.326208D+01
      2  -0.144595D+01 -0.543383D+01  0.103931D+02  0.736284D+01  0.599401D-01
      3  -0.297557D+01  0.216305D+01 -0.397790D+01 -0.252484D+01 -0.332202D+01
      4   0.117991D+02  0.738542D+01 -0.578873D+01 -0.212562D+01  0.815936D+01
      5   0.546416D+01  0.175792D+01 -0.175678D+01 -0.848044D+00  0.541268D+01
      6  -0.145484D+02 -0.369303D+01  0.100528D+02  0.783141D+01 -0.910749D+01
               206           207           208           209           210 
      1  -0.726850D+01 -0.722689D+01 -0.502409D+01  0.116399D+02 -0.504560D+01
      2   0.856248D+01  0.230217D+01  0.942578D+01 -0.193940D+02  0.612723D+01
      3  -0.129398D+01  0.492471D+01 -0.440170D+01  0.775405D+01 -0.108163D+01
      4  -0.238950D+01 -0.805155D+01 -0.507039D+01  0.126040D+02 -0.592242D+01
      5  -0.171903D+01 -0.440217D+01  0.501946D+00 -0.333779D+01  0.311117D+01
      6   0.107857D+02  0.148279D+02 -0.720603D+01  0.892083D+01 -0.481333D+01
               211           212           213           214           215 
      1   0.512110D+01 -0.439105D+02  0.130592D+02 -0.275489D+01  0.132683D+02
      2  -0.860603D+01  0.764820D+02 -0.191959D+02  0.263150D+01 -0.164644D+02
      3   0.348493D+01 -0.325715D+02  0.613665D+01  0.123388D+00  0.319612D+01
      4   0.864922D+01 -0.484630D+01  0.181401D+01 -0.399514D+01  0.143712D+01
      5  -0.183196D+01  0.270016D+00  0.766530D+00  0.275638D+01  0.381200D+00
      6   0.378123D+01 -0.303802D+02  0.179974D+02 -0.238198D+01  0.218406D+02
               216           217           218           219           220 
      1  -0.108161D+02  0.126509D+02 -0.136861D+01 -0.380981D+01 -0.219727D+01
      2   0.129887D+02 -0.834758D+01  0.476262D+01  0.565920D+01  0.436855D+01
      3  -0.217261D+01 -0.430333D+01 -0.339400D+01 -0.184939D+01 -0.217128D+01
      4  -0.110887D+01  0.249180D+02  0.906682D+01 -0.116607D+02  0.195183D+01
      5   0.185299D+00 -0.153302D+02 -0.317184D+01  0.111423D+02  0.118467D+01
      6  -0.132397D+02 -0.118022D+02 -0.420417D+01  0.130225D+02 -0.134054D+01
               221           222           223           224           225 
      1  -0.634838D+00  0.339156D+01 -0.144158D+01  0.418303D+01 -0.223284D+00
      2   0.244324D+01 -0.688388D+01  0.401249D+01 -0.663608D+01 -0.465232D+01
      3  -0.180841D+01  0.349232D+01 -0.257091D+01  0.245305D+01  0.487560D+01
      4   0.308782D+01 -0.131076D+01 -0.906692D+01 -0.410727D+01  0.906122D+01
      5  -0.299855D+01 -0.570045D+00  0.993442D+01  0.204864D+01 -0.973226D+01
      6  -0.587828D+01  0.218078D+01  0.940586D+01  0.628807D+01 -0.120730D+02
               226           227           228           229           230 
      1   0.120306D+02  0.176172D+01 -0.144896D+01 -0.252657D+01  0.210404D+01
      2  -0.398296D+01 -0.697874D+01  0.279773D+00 -0.113714D+01  0.265555D+01
      3  -0.804765D+01  0.521702D+01  0.116919D+01  0.366371D+01 -0.475959D+01
      4  -0.224521D+02  0.959029D+01 -0.370841D+01  0.882504D+01 -0.667092D+01
      5   0.105476D+02 -0.425505D+01  0.422994D+01 -0.242970D+01  0.874716D+00
      6  -0.362716D+01  0.610505D+01 -0.520420D+01  0.122559D+01  0.352078D+00
               231           232           233           234           235 
      1  -0.141106D+01 -0.777367D+00 -0.375536D+01  0.141383D+01 -0.523021D+00
      2   0.149129D+01 -0.173377D+01  0.619550D+01 -0.334470D+01 -0.213665D+01
      3  -0.802304D-01  0.251114D+01 -0.244014D+01  0.193088D+01  0.265967D+01
      4   0.113889D+01  0.188072D+01 -0.266561D+00 -0.303008D+01 -0.113270D+01
      5  -0.123140D+01  0.211431D+01 -0.439939D+00  0.176302D+01  0.156824D+01
      6   0.880176D+00 -0.249116D+01 -0.997257D+00 -0.283355D+00 -0.237384D+01
               236           237           238           239           240 
      1  -0.296906D+01  0.191018D+01 -0.170251D+01  0.154785D+01 -0.181908D+01
      2   0.306684D+01 -0.765845D+00  0.110771D+01 -0.416887D+01 -0.272424D+01
      3  -0.977835D-01 -0.114433D+01  0.594799D+00  0.262101D+01  0.454333D+01
      4   0.239787D+01 -0.293835D+01  0.351557D+00  0.432890D-01  0.282481D-01
      5  -0.908076D+00  0.483158D+01 -0.257914D+00 -0.126377D+01  0.116696D+01
      6  -0.129410D+01  0.109748D+01 -0.992652D+00  0.108053D+01  0.796252D+00
               241           242           243           244           245 
      1  -0.808089D+00  0.568378D+01 -0.161641D+02  0.281198D+02 -0.245811D+01
      2  -0.300350D+01 -0.372882D+01 -0.184401D+02 -0.174319D+02  0.525184D+01
      3   0.381159D+01 -0.195496D+01  0.346042D+02 -0.106879D+02 -0.279373D+01
      4  -0.373049D+01  0.372396D+00 -0.319545D+01  0.150116D+02  0.561447D+01
      5   0.439024D+01 -0.827117D+00  0.546718D+01  0.127610D+02  0.125268D+01
      6  -0.311538D+01  0.712666D+01 -0.220472D+02  0.812732D+00  0.334694D+01
               246           247           248           249           250 
      1   0.204473D+01 -0.485683D+00  0.439528D+01  0.109649D+01 -0.136202D+01
      2  -0.315074D+01  0.155992D+01 -0.233186D+01 -0.721261D+00 -0.186070D+01
      3   0.110601D+01 -0.107424D+01 -0.206342D+01 -0.375225D+00  0.322272D+01
      4   0.289829D+01  0.142402D+01  0.179294D+00 -0.146399D+01 -0.298061D+01
      5   0.600070D+01 -0.234095D+01 -0.986174D+00 -0.916602D+00  0.256691D+01
      6   0.307415D+01 -0.396905D+00 -0.214452D+01 -0.930170D+00  0.946994D+00
               251           252           253           254           255 
      1   0.285901D+01  0.280818D+01  0.206736D+01  0.323903D+01  0.401934D+01
      2  -0.411066D+01 -0.478047D+01 -0.450865D+01 -0.344338D+01 -0.127671D+01
      3   0.125165D+01  0.197229D+01  0.244129D+01  0.204344D+00 -0.274262D+01
      4  -0.289299D+01  0.391915D+00 -0.506131D+00 -0.109995D+01  0.115409D+01
      5  -0.110670D+01  0.165462D+01  0.185978D+01 -0.108235D+01  0.342751D+01
      6  -0.168073D+01 -0.433817D+00  0.357922D+00 -0.190930D+01 -0.215090D+01
               256           257           258           259           260 
      1   0.991502D+00 -0.129377D+01  0.505005D+00 -0.194600D+00 -0.430920D+01
      2  -0.464007D+00 -0.151743D+01  0.333066D+01 -0.412190D+01  0.401117D+01
      3  -0.527495D+00  0.281120D+01 -0.383567D+01  0.431650D+01  0.298025D+00
      4  -0.136691D+01 -0.127617D+01 -0.943704D-01  0.310875D+01  0.263580D+01
      5  -0.154183D+01 -0.107764D+01 -0.227222D+01  0.622041D+01  0.122567D+01
      6  -0.137962D+01  0.704565D+00  0.218559D+01  0.355039D+01  0.533176D+01
               261           262           263           264           265 
      1  -0.142087D+02  0.206089D+02  0.839702D+01 -0.171258D+01  0.123994D+02
      2  -0.204167D+02 -0.112468D+02 -0.555261D+01  0.238654D+01 -0.791288D+01
      3   0.346254D+02 -0.936209D+01 -0.284441D+01 -0.673956D+00 -0.448651D+01
      4   0.148488D+01  0.946824D+01  0.999990D+01 -0.215958D+01  0.619100D+01
      5   0.135604D+02 -0.636977D+01 -0.345743D+01  0.449866D+01 -0.847482D+01
      6   0.182561D+02 -0.344927D+01 -0.370079D+01  0.107475D+01 -0.291535D+01
               266           267           268           269           270 
      1   0.730980D+01 -0.251982D+01  0.492126D+01  0.702327D+00  0.471750D+00
      2  -0.394229D+01  0.343723D+01 -0.157337D+01  0.216941D+00 -0.239384D+01
      3  -0.336751D+01 -0.917413D+00 -0.334789D+01 -0.919268D+00  0.192209D+01
      4   0.117681D+02 -0.860565D-01 -0.331653D+01  0.254134D+01  0.353964D+01
      5  -0.222120D+01  0.497640D+01  0.109768D+01  0.308862D+01 -0.114049D+01
      6  -0.475511D+01  0.608947D+00  0.104831D+01  0.546468D-01 -0.138267D+01
               271           272           273           274           275 
      1  -0.204409D+01  0.703348D+00 -0.339238D+01  0.129177D+01 -0.146231D+01
      2  -0.369370D+00 -0.215339D+00 -0.106788D+01 -0.148204D+01 -0.147784D+01
      3   0.241346D+01 -0.488009D+00  0.446025D+01  0.190262D+00  0.294015D+01
      4   0.445594D+01 -0.469859D+00 -0.977553D+00  0.197650D+01 -0.654173D+00
      5   0.105406D+01 -0.152507D+01  0.844042D+00 -0.154697D+01 -0.236380D+01
      6  -0.565021D+00 -0.473982D+00  0.111598D+01 -0.120905D+01  0.966418D+00
               276           277           278           279           280 
      1  -0.819509D+00 -0.182630D+01  0.197359D+00 -0.150563D+02 -0.439125D+01
      2   0.214894D+01  0.540307D+01  0.216606D+01 -0.194837D+02  0.697287D+01
      3  -0.132943D+01 -0.357676D+01 -0.236342D+01  0.345400D+02 -0.258162D+01
      4  -0.251681D+01  0.194861D+01 -0.437326D+01  0.262926D+01  0.861748D+01
      5   0.121864D+01  0.810078D+01  0.983423D+00 -0.217762D+02 -0.389555D+01
      6   0.481323D+01 -0.132708D+01  0.334851D+01  0.624741D+01 -0.116541D+01
               281           282           283           284           285 
      1  -0.801348D+01  0.299540D+01 -0.666800D+01 -0.152798D+02  0.327174D+01
      2   0.115317D+02 -0.212904D+01  0.860426D+01  0.255031D+02 -0.247525D+01
      3  -0.351824D+01 -0.866363D+00 -0.193626D+01 -0.102232D+02 -0.796486D+00
      4   0.363456D+01  0.903091D+00  0.832072D+01  0.642728D+01 -0.138871D+01
      5  -0.188668D+01 -0.155184D+00 -0.338657D+01 -0.321689D+01  0.446431D+00
      6  -0.810672D+01  0.446258D+01 -0.307932D+01 -0.834990D+01  0.523748D+01
               286           287           288           289           290 
      1  -0.343700D+00 -0.751192D+00 -0.325646D+01 -0.101817D+01 -0.190311D+01
      2   0.815201D+00  0.422146D+01  0.131328D+01 -0.192882D+01  0.164743D+01
      3  -0.471501D+00 -0.347027D+01  0.194318D+01  0.294699D+01  0.255677D+00
      4   0.287065D+01 -0.378277D+01  0.311358D+01 -0.713158D+00  0.871627D+00
      5  -0.482240D+00  0.884311D+00 -0.124483D+01  0.140192D+01 -0.735805D+00
      6   0.294102D+01  0.151877D+01 -0.128762D+01 -0.174163D+01 -0.204549D+01
               291           292           293           294           295 
      1   0.285853D+01  0.283887D-02 -0.180151D+01 -0.489327D+00  0.259228D+01
      2  -0.887114D+00  0.423467D+00 -0.593962D+00 -0.374528D+01 -0.688488D+00
      3  -0.197142D+01 -0.426306D+00  0.239547D+01  0.423460D+01 -0.190379D+01
      4  -0.195496D+01 -0.124709D+01  0.455032D+01 -0.907027D+00 -0.432626D+01
      5   0.440426D+01 -0.105899D-01 -0.830138D+00  0.160347D+01  0.347788D+01
      6   0.171683D+01 -0.193169D+01  0.477309D+00  0.121692D+01  0.369831D+00
               296           297           298           299           300 
      1   0.518660D+01 -0.200874D+02 -0.305239D+01  0.332079D+01  0.163854D+00
      2  -0.131283D+01 -0.144342D+02  0.485690D+01 -0.342868D+01  0.353370D+00
      3  -0.387377D+01  0.345215D+02 -0.180451D+01  0.107888D+00 -0.517224D+00
      4   0.229835D+01  0.197153D+01 -0.165493D+01  0.291533D+00 -0.196618D+01
      5  -0.194650D+01  0.898833D+01 -0.242159D+01 -0.308392D+00 -0.110482D+01
      6   0.800929D+01 -0.208204D+02 -0.103050D+01 -0.415702D+01 -0.183857D+01
               301           302           303           304           305 
      1   0.582557D+01 -0.196070D+02 -0.382696D+01 -0.311733D+01 -0.153808D+01
      2  -0.425766D+01  0.306741D+02  0.279820D+01  0.227609D+01 -0.181273D+01
      3  -0.156791D+01 -0.110670D+02  0.102876D+01  0.841234D+00  0.335081D+01
      4   0.517422D+01  0.957676D+01  0.195490D+01 -0.324955D+01 -0.337014D+01
      5   0.300015D+01 -0.444539D+00  0.217045D+01 -0.154627D+01  0.422701D+00
      6  -0.415846D-01  0.124988D+02  0.618812D+01 -0.160332D+01  0.252266D+01
               306           307           308           309           310 
      1  -0.472333D+01 -0.870849D+00  0.368129D+00  0.354452D+01 -0.259374D+01
      2   0.278609D+01 -0.202599D+01  0.868889D-01 -0.546998D-01  0.233505D+01
      3   0.193724D+01  0.289684D+01 -0.455018D+00 -0.348982D+01  0.258689D+00
      4  -0.551219D+00 -0.812773D+00 -0.144731D+01  0.250942D+00 -0.186485D+01
      5  -0.670865D+00  0.124946D+01 -0.990571D+00  0.277140D+01 -0.160326D+01
      6   0.162348D+01 -0.512499D+00 -0.201906D+01 -0.234966D+01 -0.164140D+01
               311           312           313           314           315 
      1  -0.462601D+01 -0.103168D+01  0.382112D+01 -0.438228D+01 -0.206774D+02
      2   0.219516D+01  0.425797D+01 -0.355400D+01  0.934304D-01 -0.139423D+02
      3   0.243085D+01 -0.322628D+01 -0.267120D+00  0.428885D+01  0.346197D+02
      4  -0.178489D+01  0.473878D+00  0.327158D+01  0.292330D+01  0.606670D+00
      5  -0.221761D+00 -0.225720D+01  0.473367D+01  0.332179D+01  0.163400D+02
      6   0.144189D+01  0.284732D+01  0.100693D+01  0.678778D+01  0.157636D+02
               316           317           318           319           320 
      1   0.612855D+01 -0.286568D+01  0.916123D+00 -0.870168D+01  0.537596D+00
      2  -0.167493D+00 -0.106817D+01 -0.695710D+00  0.324921D+01  0.626489D+01
      3  -0.596106D+01  0.393385D+01 -0.220413D+00  0.545247D+01 -0.680249D+01
      4  -0.890902D+01  0.106099D+02  0.191991D+01  0.100248D+02 -0.212244D+02
      5  -0.105730D+01  0.207110D+01  0.180872D+01  0.707321D+01 -0.378358D+01
      6   0.179517D+01 -0.333902D+01 -0.157321D+01 -0.447754D+01  0.904483D+01
               321           322           323           324           325 
      1   0.133112D+01  0.628877D+01 -0.136666D+01 -0.246992D+01 -0.444983D+01
      2  -0.247831D+01 -0.352545D+01 -0.774839D+00  0.522593D+00  0.188866D+01
      3   0.114719D+01 -0.276332D+01  0.214150D+01  0.194732D+01  0.256117D+01
      4  -0.311769D+01  0.825734D+00  0.178975D+01 -0.352533D+01 -0.121509D+01
      5  -0.550762D+01 -0.485777D+00 -0.285243D+01 -0.530166D+00  0.141387D+01
      6   0.333562D+01 -0.792849D+00  0.171284D+01  0.174388D+01 -0.898200D+00
               326           327           328           329           330 
      1   0.622504D+00 -0.268940D+01  0.197028D+01 -0.142812D+01 -0.310470D+00
      2  -0.121448D+01 -0.194339D+01 -0.187761D+01 -0.131697D+01  0.869965D+00
      3   0.591977D+00  0.463280D+01 -0.926783D-01  0.274509D+01 -0.559495D+00
      4   0.718937D+00  0.316291D+00  0.309960D+01 -0.810665D+00 -0.317254D+01
      5  -0.429232D+00  0.593372D+00 -0.631816D+00 -0.277432D+01  0.536759D+00
      6  -0.663838D+00  0.607318D+00 -0.134331D+01  0.101264D+01  0.505742D+01
               331           332           333 
      1  -0.337836D+01 -0.246118D+01 -0.175330D+02
      2   0.581162D+01 -0.106516D+01 -0.170279D+02
      3  -0.243326D+01  0.352634D+01  0.345609D+02
      4  -0.329534D+00 -0.394262D+01 -0.338873D+01
      5   0.760319D+01 -0.270003D+01 -0.225451D+02
      6  -0.412594D+00  0.392106D+01  0.256698D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.191352D-03      0.486369D-03      0.162235D-02
   y          0.138826D-03      0.352861D-03      0.117702D-02
   z          0.850858D-03      0.216267D-02      0.721388D-02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.147873D+03      0.219125D+02      0.243810D+02
   yx        -0.236901D-02     -0.351051D-03     -0.390597D-03
   yy         0.147870D+03      0.219120D+02      0.243804D+02
   zx        -0.100961D-03     -0.149609D-04     -0.166462D-04
   zy        -0.253378D-02     -0.375468D-03     -0.417764D-03
   zz         0.122517D+03      0.181551D+02      0.202003D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143440D+03      0.212556D+02      0.236500D+02
   aniso      0.256912D+02      0.380704D+01      0.423590D+01
   xx         0.151983D+03      0.225216D+02      0.250587D+02
   yx        -0.424536D-01     -0.629097D-02     -0.699965D-02
   yy         0.152023D+03      0.225275D+02      0.250653D+02
   zx         0.246070D-02      0.364638D-03      0.405715D-03
   zy        -0.127827D-01     -0.189420D-02     -0.210758D-02
   zz         0.126312D+03      0.187176D+02      0.208261D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.09586463         -5.50308848          0.32546661
     6         -0.79171345         -4.98889569         -2.46362738
     7         -1.47225398         -2.26963737         -2.95700418
    45          0.00013473          0.00009100          0.00017656
     7          0.42052229         -3.57325612          1.76689302
     7          1.82412374          1.95513621          2.98545080
     6          4.63501141          1.56408176          2.76805307
     6          5.35516074          1.70635312          0.01176668
     7          3.73937362         -0.13536852         -1.43689464
     7         -0.85445332          3.43191145         -1.88646038
     6         -3.64246209          3.95121761         -1.64562970
     6         -4.46100190          3.26979527          1.00041610
     7         -3.65718806          0.59124841          1.52988273
     1          7.35262507          1.27980299         -0.26190660
     1          5.01470516          3.58689163         -0.75884133
     1          5.64494176          2.97607793          3.87845868
     1          5.07911941         -0.28254537          3.56732240
     1         -4.04420657          5.92811316         -2.06661185
     1         -4.62154706          2.80932632         -3.05403169
     1         -6.49989077          3.46622884          1.22626436
     1         -3.56489235          4.48636463          2.40153000
     1         -1.97912045         -6.24237594         -3.58859664
     1          1.15615112         -5.27297299         -3.07305004
     1         -0.47629337         -7.40878345          0.80626716
     1         -3.06320060         -5.32744340          0.91293807
     1          2.25914378         -4.14875835          1.81670697
     1         -0.13680707         -3.60173339          3.61144617
     1         -3.38958046         -2.13120444         -3.09399889
     1         -0.83348953         -1.78074671         -4.70815721
     1         -4.96471876         -0.60433466          0.77155817
     1         -3.76900490          0.27654896          3.42780692
     1          0.11459015          4.92682632         -1.15136422
     1         -0.38472376          3.43288452         -3.75542533
     1          1.46192031          3.84757382          2.94426095
     1          1.25716700          1.40034455          4.74171999
     1          4.51698612         -1.89162280         -1.27849529
     1          3.86841282          0.27442683         -3.31549055

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.883090D-03      0.224459D-02      0.748715D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.146683D+03      0.217361D+02      0.241847D+02
   yx        -0.865415D+00     -0.128241D+00     -0.142688D+00
   yy         0.147244D+03      0.218193D+02      0.242773D+02
   zx         0.529349D+01      0.784414D+00      0.872778D+00
   zy         0.383730D+01      0.568629D+00      0.632685D+00
   zz         0.124333D+03      0.184242D+02      0.204997D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143440D+03      0.212556D+02      0.236500D+02
   aniso      0.256912D+02      0.380704D+01      0.423590D+01
   xx         0.150778D+03      0.223430D+02      0.248600D+02
   yx        -0.913740D+00     -0.135402D+00     -0.150655D+00
   yy         0.151393D+03      0.224342D+02      0.249614D+02
   zx         0.535586D+01      0.793656D+00      0.883061D+00
   zy         0.387361D+01      0.574009D+00      0.638672D+00
   zz         0.128147D+03      0.189895D+02      0.211286D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-37\Freq\RM11\Gen\C6H24N6Rh1(3+)\PIERPA\09-Jul-2021\0\
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 uess=Read Geom=Check CPHF=RdFreq Pseudo=Read\\ROA calculations.\\3,1\C
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 SLITHERY-DITHERY
 FRIEDRICH A. KEKULE
 DREAMT ON A BUS OF THINGS
 FREUD WOULD THINK KEEN.
 MOST OF THE TIME THEY WERE
 HERPETOLOGICAL
 BITING THEIR TAILS IN THE
 SHAPE OF BENZENE.
 Job cpu time:       2 days 19 hours  2 minutes 24.5 seconds.
 Elapsed time:       0 days  4 hours 11 minutes 42.1 seconds.
 File lengths (MBytes):  RWF=    791 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 01:48:33 2021.
